ethene;(2S)-2-(prop-1-en-2-ylamino)-4-(pyridin-2-ylmethyl)-2,3-dihydro-1H-cyclopenta[b]indole-7-carbonitrile

C23H24N4 — CID 142352015

IUPACethene;(2S)-2-(prop-1-en-2-ylamino)-4-(pyridin-2-ylmethyl)-2,3-dihydro-1H-cyclopenta[b]indole-7-carbonitrile
SMILESC=C.C=C(C)N[C@H]1Cc2c(n(Cc3ccccn3)c3ccc(C#N)cc23)C1
InChIInChI=1S/C21H20N4.C2H4/c1-14(2)24-17-10-19-18-9-15(12-22)6-7-20(18)25(21(19)11-17)13-16-5-3-4-8-23-16;1-2/h3-9,17,24H,1,10-11,13H2,2H3;1-2H2/t17-;/m0./s1
InChIKeyVNOMWRUUKDAVFA-LMOVPXPDSA-N
MW356.47 g/mol
LogP4.35
Rot. Bonds4

About ethene;(2S)-2-(prop-1-en-2-ylamino)-4-(pyridin-2-ylmethyl)-2,3-dihydro-1H-cyclopenta[b]indole-7-carbonitrile

ethene;(2S)-2-(prop-1-en-2-ylamino)-4-(pyridin-2-ylmethyl)-2,3-dihydro-1H-cyclopenta[b]indole-7-carbonitrile (PubChem CID 142352015) has the molecular formula C23H24N4 and a molecular weight of 356.47 g/mol. Its IUPAC name is ethene;(2S)-2-(prop-1-en-2-ylamino)-4-(pyridin-2-ylmethyl)-2,3-dihydro-1H-cyclopenta[b]indole-7-carbonitrile.

Molecular Properties

Compound Nameethene;(2S)-2-(prop-1-en-2-ylamino)-4-(pyridin-2-ylmethyl)-2,3-dihydro-1H-cyclopenta[b]indole-7-carbonitrile
PubChem CID142352015
Molecular FormulaC23H24N4
Molecular Weight356.47 g/mol
Exact Mass356.20
IUPAC Nameethene;(2S)-2-(prop-1-en-2-ylamino)-4-(pyridin-2-ylmethyl)-2,3-dihydro-1H-cyclopenta[b]indole-7-carbonitrile
SMILESC=C.C=C(C)N[C@H]1Cc2c(n(Cc3ccccn3)c3ccc(C#N)cc23)C1
InChIInChI=1S/C21H20N4.C2H4/c1-14(2)24-17-10-19-18-9-15(12-22)6-7-20(18)25(21(19)11-17)13-16-5-3-4-8-23-16;1-2/h3-9,17,24H,1,10-11,13H2,2H3;1-2H2/t17-;/m0./s1
InChIKeyVNOMWRUUKDAVFA-LMOVPXPDSA-N
XLogP4.35
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-methylpropyl N-[7-cyano-4-(pyridin-2-ylmethyl)-2,3-dihydro-1H-cyclopenta[b]indol-2-yl]carbamate
CID 59242706
propan-2-yl N-[(2S)-6-cyano-9-(pyridin-2-ylmethyl)-1,2,3,4-tetrahydrocarbazol-2-yl]carbamate
CID 156811582
molecular iodine;propan-2-yl N-[(2S)-7-cyano-4-(pyridin-2-ylmethyl)-2,3-dihydro-1H-cyclopenta[b]indol-2-yl]carbamate;propan-2-yl N-[(2S)-7-cyano-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl]carbamate;pyridin-2-ylmethanol;triiodide
CID 160968572
[(2S)-4-[(2-amino-3-pyridinyl)methyl]-7-cyano-2,3-dihydro-1H-cyclopenta[b]indol-2-yl]carbamic acid
CID 150832588
ethyl N-[7-(methoxyiminomethyl)-4-(pyridin-2-ylmethyl)-2,3-dihydro-1H-cyclopenta[b]indol-2-yl]carbamate
CID 123273300
propan-2-yl N-[7-cyano-4-[[2-(1,3-dioxoisoindol-2-yl)-3-pyridinyl]methyl]-2,3-dihydro-1H-cyclopenta[b]indol-2-yl]carbamate
CID 67251093
[6-cyano-9-[(6-fluoro-2-pyridinyl)methyl]-1,2,3,4-tetrahydrocarbazol-3-yl]carbamic acid
CID 68533390
propan-2-yl N-[4-[(3-bromo-4-pyridinyl)methyl]-7-cyano-2,3-dihydro-1H-cyclopenta[b]indol-2-yl]carbamate
CID 66933640
(2R)-7-cyano-2-(dimethylsulfamoylamino)-4-[[2-(1,3-dioxoisoindol-2-yl)-3-pyridinyl]methyl]-2,3-dihydro-1H-cyclopenta[b]indole
CID 59242705
2-methyl-5-(2-pyridin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carbonitrile
CID 54585848
(2R)-2-amino-4-(1,2-thiazol-3-ylmethyl)-2,3-dihydro-1H-cyclopenta[b]indole-7-carbonitrile
CID 59242717
N-[9-[(5-chlorothiophen-2-yl)methyl]-6-cyano-1,2,3,4-tetrahydrocarbazol-3-yl]-2-methylpropanamide
CID 59161214

Frequently Asked Questions

What is the IUPAC name of ethene;(2S)-2-(prop-1-en-2-ylamino)-4-(pyridin-2-ylmethyl)-2,3-dihydro-1H-cyclopenta[b]indole-7-carbonitrile?
The IUPAC name of ethene;(2S)-2-(prop-1-en-2-ylamino)-4-(pyridin-2-ylmethyl)-2,3-dihydro-1H-cyclopenta[b]indole-7-carbonitrile (CID 142352015) is ethene;(2S)-2-(prop-1-en-2-ylamino)-4-(pyridin-2-ylmethyl)-2,3-dihydro-1H-cyclopenta[b]indole-7-carbonitrile.
What is the SMILES notation for ethene;(2S)-2-(prop-1-en-2-ylamino)-4-(pyridin-2-ylmethyl)-2,3-dihydro-1H-cyclopenta[b]indole-7-carbonitrile?
The canonical SMILES for ethene;(2S)-2-(prop-1-en-2-ylamino)-4-(pyridin-2-ylmethyl)-2,3-dihydro-1H-cyclopenta[b]indole-7-carbonitrile is C=C.C=C(C)N[C@H]1Cc2c(n(Cc3ccccn3)c3ccc(C#N)cc23)C1.
What is the InChIKey of ethene;(2S)-2-(prop-1-en-2-ylamino)-4-(pyridin-2-ylmethyl)-2,3-dihydro-1H-cyclopenta[b]indole-7-carbonitrile?
The InChIKey is VNOMWRUUKDAVFA-LMOVPXPDSA-N. The full InChI is InChI=1S/C21H20N4.C2H4/c1-14(2)24-17-10-19-18-9-15(12-22)6-7-20(18)25(21(19)11-17)13-16-5-3-4-8-23-16;1-2/h3-9,17,24H,1,10-11,13H2,2H3;1-2H2/t17-;/m0./s1.
What are the key properties of ethene;(2S)-2-(prop-1-en-2-ylamino)-4-(pyridin-2-ylmethyl)-2,3-dihydro-1H-cyclopenta[b]indole-7-carbonitrile?
ethene;(2S)-2-(prop-1-en-2-ylamino)-4-(pyridin-2-ylmethyl)-2,3-dihydro-1H-cyclopenta[b]indole-7-carbonitrile has a molecular weight of 356.47 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;(2S)-2-(prop-1-en-2-ylamino)-4-(pyridin-2-ylmethyl)-2,3-dihydro-1H-cyclopenta[b]indole-7-carbonitrile is sourced from PubChem (CID 142352015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).