N-(2-ethenyl-1-methylindol-3-yl)methanimine

C12H12N2 — CID 142955095

IUPACN-(2-ethenyl-1-methylindol-3-yl)methanimine
SMILESC=Cc1c(N=C)c2ccccc2n1C
InChIInChI=1S/C12H12N2/c1-4-10-12(13-2)9-7-5-6-8-11(9)14(10)3/h4-8H,1-2H2,3H3
InChIKeyABQQQNXPEVQMGR-UHFFFAOYSA-N
MW184.24 g/mol
LogP3.15
Rot. Bonds2

About N-(2-ethenyl-1-methylindol-3-yl)methanimine

N-(2-ethenyl-1-methylindol-3-yl)methanimine (PubChem CID 142955095) has the molecular formula C12H12N2 and a molecular weight of 184.24 g/mol. Its IUPAC name is N-(2-ethenyl-1-methylindol-3-yl)methanimine.

Molecular Properties

Compound NameN-(2-ethenyl-1-methylindol-3-yl)methanimine
PubChem CID142955095
Molecular FormulaC12H12N2
Molecular Weight184.24 g/mol
Exact Mass184.10
IUPAC NameN-(2-ethenyl-1-methylindol-3-yl)methanimine
SMILESC=Cc1c(N=C)c2ccccc2n1C
InChIInChI=1S/C12H12N2/c1-4-10-12(13-2)9-7-5-6-8-11(9)14(10)3/h4-8H,1-2H2,3H3
InChIKeyABQQQNXPEVQMGR-UHFFFAOYSA-N
XLogP3.15
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 53.15
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

1-[2,3-bis(ethenyl)-1-methylindol-7-yl]-9-methylcarbazole
CID 145430239
2-ethenyl-1-methyl-3-(2-methyl-1-benzothiophen-3-yl)indole
CID 144848350
(Z)-but-2-ene;ethane;9-methylcarbazole;prop-1-ene
CID 144690725
ethane;bis(9-methylcarbazole)
CID 159710949
ethane;9-methylcarbazole;triphenylene
CID 142356751
1-(1,3-dimethylindol-2-yl)-N-prop-1-en-2-ylmethanimine;ethane
CID 145463492
1,3-dimethyl-2-[(Z)-prop-1-enyl]indole;ethane
CID 144783393
ethane;1-methyl-2,3-bis[(Z)-prop-1-enyl]indole
CID 144820845
8-methyl-8-azapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2,4,6,9,11,13,15,17,19,22,24-dodecaen-21-one
CID 167125984
2,3-bis(ethenyl)-1H-indene;ethane;9-methylcarbazole
CID 144597079
1-methyl-3-pent-4-enylindole-2-carbaldehyde
CID 16723386
2-deuteriocarbonyl-1-methylindole-3-carbaldehyde
CID 12584870

Frequently Asked Questions

What is the IUPAC name of N-(2-ethenyl-1-methylindol-3-yl)methanimine?
The IUPAC name of N-(2-ethenyl-1-methylindol-3-yl)methanimine (CID 142955095) is N-(2-ethenyl-1-methylindol-3-yl)methanimine.
What is the SMILES notation for N-(2-ethenyl-1-methylindol-3-yl)methanimine?
The canonical SMILES for N-(2-ethenyl-1-methylindol-3-yl)methanimine is C=Cc1c(N=C)c2ccccc2n1C.
What is the InChIKey of N-(2-ethenyl-1-methylindol-3-yl)methanimine?
The InChIKey is ABQQQNXPEVQMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2/c1-4-10-12(13-2)9-7-5-6-8-11(9)14(10)3/h4-8H,1-2H2,3H3.
What are the key properties of N-(2-ethenyl-1-methylindol-3-yl)methanimine?
N-(2-ethenyl-1-methylindol-3-yl)methanimine has a molecular weight of 184.24 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethenyl-1-methylindol-3-yl)methanimine is sourced from PubChem (CID 142955095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).