ethane;ethene;(2Z)-2-[5-methyl-2-methylidene-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-ylidene]-3a,7a-dihydro-1H-indol-3-imine

C23H35N3 — CID 145086369

IUPACethane;ethene;(2Z)-2-[5-methyl-2-methylidene-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-ylidene]-3a,7a-dihydro-1H-indol-3-imine
SMILESC=C.CC.CC.[H]/N=C1C(=c2\c(/C=C\C)c(C)[nH]c2=C)/NC2C=CC=CC/12
InChIInChI=1S/C17H19N3.2C2H6.C2H4/c1-4-7-12-10(2)19-11(3)15(12)17-16(18)13-8-5-6-9-14(13)20-17;3*1-2/h4-9,13-14,18-20H,3H2,1-2H3;2*1-2H3;1-2H2/b7-4-,17-15+,18-16+;;;
InChIKeyLPVIAMYAGQEYAC-BHSVPIRUSA-N
MW353.55 g/mol
LogP4.46
Rot. Bonds1

About ethane;ethene;(2Z)-2-[5-methyl-2-methylidene-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-ylidene]-3a,7a-dihydro-1H-indol-3-imine

ethane;ethene;(2Z)-2-[5-methyl-2-methylidene-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-ylidene]-3a,7a-dihydro-1H-indol-3-imine (PubChem CID 145086369) has the molecular formula C23H35N3 and a molecular weight of 353.55 g/mol. Its IUPAC name is ethane;ethene;(2Z)-2-[5-methyl-2-methylidene-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-ylidene]-3a,7a-dihydro-1H-indol-3-imine.

Molecular Properties

Compound Nameethane;ethene;(2Z)-2-[5-methyl-2-methylidene-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-ylidene]-3a,7a-dihydro-1H-indol-3-imine
PubChem CID145086369
Molecular FormulaC23H35N3
Molecular Weight353.55 g/mol
Exact Mass353.28
IUPAC Nameethane;ethene;(2Z)-2-[5-methyl-2-methylidene-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-ylidene]-3a,7a-dihydro-1H-indol-3-imine
SMILESC=C.CC.CC.[H]/N=C1C(=c2\c(/C=C\C)c(C)[nH]c2=C)/NC2C=CC=CC/12
InChIInChI=1S/C17H19N3.2C2H6.C2H4/c1-4-7-12-10(2)19-11(3)15(12)17-16(18)13-8-5-6-9-14(13)20-17;3*1-2/h4-9,13-14,18-20H,3H2,1-2H3;2*1-2H3;1-2H2/b7-4-,17-15+,18-16+;;;
InChIKeyLPVIAMYAGQEYAC-BHSVPIRUSA-N
XLogP4.46
TPSA51.67 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.55
LogP ≤ 54.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 54542789
2-Methylidene-5-propan-2-yl-1,3,3a,7a-tetrahydroindole
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25,26,27,28-Tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1(24),2,4,6(28),7,9,11,13(26),14,16,20,22-dodecaene
CID 87118126
3-ethyl-2-[(Z)-prop-1-enyl]-2,3,5,6-tetrahydro-1H-indole
CID 90089476
(3E)-3-[1-(butan-2-ylideneamino)ethylidene]-N-(cyclopenta-1,3-dien-1-ylmethyl)-4-methylhex-1-en-2-amine
CID 130458657
(3Z,5E)-2-N-[(3Z)-3-butan-2-ylidene-4-methyliminocyclohexa-1,5-dien-1-yl]-6-N-(2,5-dimethylheptan-3-yl)-3-ethenyl-5-methylhepta-1,3,5-triene-2,6-diamine
CID 134187705
N-ethenyl-2-[1-[(2E,4Z)-3-(N-ethenyl-C-methylcarbonimidoyl)hexa-2,4-dien-2-yl]-2-prop-2-enylpyrrolidin-3-yl]ethanamine
CID 134485767
25,26,27,28-Tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-2,4,6(28),7,9,11,13(26),16,20,22-decaene
CID 136477145
2-methyl-3-[(3E)-2-(2-methyl-1,2-dihydropyridin-6-yl)-5-prop-1-enylnona-1,3-dien-3-yl]-5-prop-1-en-2-yl-2H-indole
CID 139419064
(1S,2R,5Z,10Z,14Z,19Z)-3-ethenyl-8-ethyl-2,7,12,18-tetramethyl-1,2,21,23-tetrahydroporphyrin
CID 141058438
butane;(4Z)-1-(4,5-dimethylpyrrolidin-3-yl)-3-propan-2-ylidene-N-prop-1-en-2-ylhepta-4,6-dien-2-imine;ethane
CID 141901858

Frequently Asked Questions

What is the IUPAC name of ethane;ethene;(2Z)-2-[5-methyl-2-methylidene-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-ylidene]-3a,7a-dihydro-1H-indol-3-imine?
The IUPAC name of ethane;ethene;(2Z)-2-[5-methyl-2-methylidene-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-ylidene]-3a,7a-dihydro-1H-indol-3-imine (CID 145086369) is ethane;ethene;(2Z)-2-[5-methyl-2-methylidene-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-ylidene]-3a,7a-dihydro-1H-indol-3-imine.
What is the SMILES notation for ethane;ethene;(2Z)-2-[5-methyl-2-methylidene-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-ylidene]-3a,7a-dihydro-1H-indol-3-imine?
The canonical SMILES for ethane;ethene;(2Z)-2-[5-methyl-2-methylidene-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-ylidene]-3a,7a-dihydro-1H-indol-3-imine is C=C.CC.CC.[H]/N=C1C(=c2\c(/C=C\C)c(C)[nH]c2=C)/NC2C=CC=CC/12.
What is the InChIKey of ethane;ethene;(2Z)-2-[5-methyl-2-methylidene-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-ylidene]-3a,7a-dihydro-1H-indol-3-imine?
The InChIKey is LPVIAMYAGQEYAC-BHSVPIRUSA-N. The full InChI is InChI=1S/C17H19N3.2C2H6.C2H4/c1-4-7-12-10(2)19-11(3)15(12)17-16(18)13-8-5-6-9-14(13)20-17;3*1-2/h4-9,13-14,18-20H,3H2,1-2H3;2*1-2H3;1-2H2/b7-4-,17-15+,18-16+;;;.
What are the key properties of ethane;ethene;(2Z)-2-[5-methyl-2-methylidene-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-ylidene]-3a,7a-dihydro-1H-indol-3-imine?
ethane;ethene;(2Z)-2-[5-methyl-2-methylidene-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-ylidene]-3a,7a-dihydro-1H-indol-3-imine has a molecular weight of 353.55 g/mol, XLogP of 4.46, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethene;(2Z)-2-[5-methyl-2-methylidene-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-ylidene]-3a,7a-dihydro-1H-indol-3-imine is sourced from PubChem (CID 145086369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).