ethane;(Z)-N-(4-ethenyl-1-methyl-2,3-dihydropyrrol-5-yl)propan-1-imine

C12H22N2 — CID 145001374

IUPACethane;(Z)-N-(4-ethenyl-1-methyl-2,3-dihydropyrrol-5-yl)propan-1-imine
SMILESC=CC1=C(/N=C\CC)N(C)CC1.CC
InChIInChI=1S/C10H16N2.C2H6/c1-4-7-11-10-9(5-2)6-8-12(10)3;1-2/h5,7H,2,4,6,8H2,1,3H3;1-2H3/b11-7-;
InChIKeyBVLIAPHWRPSCIN-AJULUCINSA-N
MW194.32 g/mol
LogP3.23
Rot. Bonds3

About ethane;(Z)-N-(4-ethenyl-1-methyl-2,3-dihydropyrrol-5-yl)propan-1-imine

ethane;(Z)-N-(4-ethenyl-1-methyl-2,3-dihydropyrrol-5-yl)propan-1-imine (PubChem CID 145001374) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is ethane;(Z)-N-(4-ethenyl-1-methyl-2,3-dihydropyrrol-5-yl)propan-1-imine.

Molecular Properties

Compound Nameethane;(Z)-N-(4-ethenyl-1-methyl-2,3-dihydropyrrol-5-yl)propan-1-imine
PubChem CID145001374
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Nameethane;(Z)-N-(4-ethenyl-1-methyl-2,3-dihydropyrrol-5-yl)propan-1-imine
SMILESC=CC1=C(/N=C\CC)N(C)CC1.CC
InChIInChI=1S/C10H16N2.C2H6/c1-4-7-11-10-9(5-2)6-8-12(10)3;1-2/h5,7H,2,4,6,8H2,1,3H3;1-2H3/b11-7-;
InChIKeyBVLIAPHWRPSCIN-AJULUCINSA-N
XLogP3.23
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-(4-ethenyl-1-methyl-2,3-dihydropyrrol-5-yl)ethenamine
CID 89012398
4,5-bis(ethenyl)-1-methyl-3,6-dihydro-2H-pyridine;ethane
CID 145316380
4-[(Z)-but-1-enyl]-1,5-dimethyl-2,3-dihydropyrrole;ethane
CID 142942599
ethane;N-(6-ethenyl-1-methyl-3,4-dihydro-2H-pyridin-5-yl)methanimine
CID 143157788
ethane;1-methyl-2-methylideneazetidine
CID 166532028
but-1-ene;ethane;4-methylpiperazin-1-amine
CID 167513278
N-[(2S)-5-ethenyl-2-ethyl-1,2,3,4-tetrahydropyridin-6-yl]methanimine;molecular hydrogen
CID 176962191
3-ethenyl-2-methylcyclopent-2-en-1-one;methane;propane
CID 160607365
4-ethenyl-1-methyl-2,3-dihydropyridin-6-one;(E)-3-methylpent-2-ene
CID 143588674
6-ethyl-1-methyl-2,3,4,5,6,7-hexahydroindole
CID 166905332
3-ethyl-1-methyl-1,4-diazepane-2,5-dione
CID 64881885
5-ethenyl-1-methyl-4-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyridine
CID 166683546

Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-N-(4-ethenyl-1-methyl-2,3-dihydropyrrol-5-yl)propan-1-imine?
The IUPAC name of ethane;(Z)-N-(4-ethenyl-1-methyl-2,3-dihydropyrrol-5-yl)propan-1-imine (CID 145001374) is ethane;(Z)-N-(4-ethenyl-1-methyl-2,3-dihydropyrrol-5-yl)propan-1-imine.
What is the SMILES notation for ethane;(Z)-N-(4-ethenyl-1-methyl-2,3-dihydropyrrol-5-yl)propan-1-imine?
The canonical SMILES for ethane;(Z)-N-(4-ethenyl-1-methyl-2,3-dihydropyrrol-5-yl)propan-1-imine is C=CC1=C(/N=C\CC)N(C)CC1.CC.
What is the InChIKey of ethane;(Z)-N-(4-ethenyl-1-methyl-2,3-dihydropyrrol-5-yl)propan-1-imine?
The InChIKey is BVLIAPHWRPSCIN-AJULUCINSA-N. The full InChI is InChI=1S/C10H16N2.C2H6/c1-4-7-11-10-9(5-2)6-8-12(10)3;1-2/h5,7H,2,4,6,8H2,1,3H3;1-2H3/b11-7-;.
What are the key properties of ethane;(Z)-N-(4-ethenyl-1-methyl-2,3-dihydropyrrol-5-yl)propan-1-imine?
ethane;(Z)-N-(4-ethenyl-1-methyl-2,3-dihydropyrrol-5-yl)propan-1-imine has a molecular weight of 194.32 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-N-(4-ethenyl-1-methyl-2,3-dihydropyrrol-5-yl)propan-1-imine is sourced from PubChem (CID 145001374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).