N-(3-phenylindol-1-yl)prop-2-en-1-imine

C17H14N2 — CID 71387667

IUPACN-(3-phenylindol-1-yl)prop-2-en-1-imine
SMILESC=CC=Nn1cc(-c2ccccc2)c2ccccc21
InChIInChI=1S/C17H14N2/c1-2-12-18-19-13-16(14-8-4-3-5-9-14)15-10-6-7-11-17(15)19/h2-13H,1H2
InChIKeyOBFMLGSHTXOPEC-UHFFFAOYSA-N
MW246.31 g/mol
LogP4.33
Rot. Bonds3

About N-(3-phenylindol-1-yl)prop-2-en-1-imine

N-(3-phenylindol-1-yl)prop-2-en-1-imine (PubChem CID 71387667) has the molecular formula C17H14N2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N-(3-phenylindol-1-yl)prop-2-en-1-imine.

Molecular Properties

Compound NameN-(3-phenylindol-1-yl)prop-2-en-1-imine
PubChem CID71387667
Molecular FormulaC17H14N2
Molecular Weight246.31 g/mol
Exact Mass246.12
IUPAC NameN-(3-phenylindol-1-yl)prop-2-en-1-imine
SMILESC=CC=Nn1cc(-c2ccccc2)c2ccccc21
InChIInChI=1S/C17H14N2/c1-2-12-18-19-13-16(14-8-4-3-5-9-14)15-10-6-7-11-17(15)19/h2-13H,1H2
InChIKeyOBFMLGSHTXOPEC-UHFFFAOYSA-N
XLogP4.33
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 54.33
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

N-indol-1-ylprop-2-en-1-imine
CID 68636650
3-phenyl-1-[2-[(E)-prop-1-enoxy]ethyl]indole
CID 134842217
ethyl 3-phenylindole-1-carboxylate
CID 69433290
3-(3-phenylindol-1-yl)propan-1-amine
CID 15134122
1-(3-phenylindol-1-yl)propan-2-amine
CID 154276065
1-methyl-3-(4-methylphenyl)indole
CID 58931542
triphenyl-[3-[3-(1-triphenylsilylindol-3-yl)phenyl]indol-1-yl]silane
CID 59307600
benzene;1,1'-biphenyl;ethenamine
CID 174584589
(Z)-N-(1-ethyl-3-methylindol-2-yl)prop-2-en-1-imine
CID 171072973
1-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylindole
CID 134472380
N'-[2-(dimethylamino)ethyl]-N,N-dimethyl-N'-(3-phenylindol-1-yl)ethane-1,2-diamine;dihydrochloride
CID 131884547
N'-[2-(dimethylamino)ethyl]-N,N-dimethyl-N'-(3-phenylindol-1-yl)ethane-1,2-diamine;hydrate;dihydrochloride
CID 23622822

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylindol-1-yl)prop-2-en-1-imine?
The IUPAC name of N-(3-phenylindol-1-yl)prop-2-en-1-imine (CID 71387667) is N-(3-phenylindol-1-yl)prop-2-en-1-imine.
What is the SMILES notation for N-(3-phenylindol-1-yl)prop-2-en-1-imine?
The canonical SMILES for N-(3-phenylindol-1-yl)prop-2-en-1-imine is C=CC=Nn1cc(-c2ccccc2)c2ccccc21.
What is the InChIKey of N-(3-phenylindol-1-yl)prop-2-en-1-imine?
The InChIKey is OBFMLGSHTXOPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2/c1-2-12-18-19-13-16(14-8-4-3-5-9-14)15-10-6-7-11-17(15)19/h2-13H,1H2.
What are the key properties of N-(3-phenylindol-1-yl)prop-2-en-1-imine?
N-(3-phenylindol-1-yl)prop-2-en-1-imine has a molecular weight of 246.31 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylindol-1-yl)prop-2-en-1-imine is sourced from PubChem (CID 71387667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).