N-[(Z)-3-(9H-pyrido[3,4-b]indol-1-yl)prop-1-enyl]ethanimine

C16H15N3 — CID 163547256

IUPACN-[(Z)-3-(9H-pyrido[3,4-b]indol-1-yl)prop-1-enyl]ethanimine
SMILESC/C=N/C=C\Cc1nccc2c1[nH]c1ccccc12
InChIInChI=1S/C16H15N3/c1-2-17-10-5-8-15-16-13(9-11-18-15)12-6-3-4-7-14(12)19-16/h2-7,9-11,19H,8H2,1H3/b10-5-,17-2+
InChIKeyFGCIGPOTPGZMCJ-QHBOZUIVSA-N
MW249.32 g/mol
LogP3.86
Rot. Bonds3

About N-[(Z)-3-(9H-pyrido[3,4-b]indol-1-yl)prop-1-enyl]ethanimine

N-[(Z)-3-(9H-pyrido[3,4-b]indol-1-yl)prop-1-enyl]ethanimine (PubChem CID 163547256) has the molecular formula C16H15N3 and a molecular weight of 249.32 g/mol. Its IUPAC name is N-[(Z)-3-(9H-pyrido[3,4-b]indol-1-yl)prop-1-enyl]ethanimine.

Molecular Properties

Compound NameN-[(Z)-3-(9H-pyrido[3,4-b]indol-1-yl)prop-1-enyl]ethanimine
PubChem CID163547256
Molecular FormulaC16H15N3
Molecular Weight249.32 g/mol
Exact Mass249.13
IUPAC NameN-[(Z)-3-(9H-pyrido[3,4-b]indol-1-yl)prop-1-enyl]ethanimine
SMILESC/C=N/C=C\Cc1nccc2c1[nH]c1ccccc12
InChIInChI=1S/C16H15N3/c1-2-17-10-5-8-15-16-13(9-11-18-15)12-6-3-4-7-14(12)19-16/h2-7,9-11,19H,8H2,1H3/b10-5-,17-2+
InChIKeyFGCIGPOTPGZMCJ-QHBOZUIVSA-N
XLogP3.86
TPSA41.04 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methylbut-2-enyl)-9H-pyrido[3,4-b]indole
CID 163409626
1-propyl-9H-pyrido[3,4-b]indole
CID 15381905
1-[(2,3,4,5,6-pentafluorophenyl)methyl]-9H-pyrido[3,4-b]indole
CID 175324734
1-(2-propan-2-yloxyethyl)-9H-pyrido[3,4-b]indole
CID 151654527
1-(trideuteriomethyl)-9H-pyrido[3,4-b]indole
CID 46781679
1-[(3-chlorophenyl)methyl]-9H-pyrido[3,4-b]indole
CID 175008340
(2S)-2-hydroxy-3-(9H-pyrido[3,4-b]indol-1-yl)propanoic acid
CID 163185799
1-(2-piperidin-1-ylethyl)-9H-pyrido[3,4-b]indole
CID 86173275
1-(2,4,10-trioxatricyclo[3.3.1.13,7]decan-3-ylmethyl)-9H-pyrido[3,4-b]indole
CID 10914249
1-(4-methoxyphenyl)-2-(9H-pyrido[3,4-b]indol-1-yl)ethanol
CID 5358763
1-(2-methylphenyl)-9H-pyrido[3,4-b]indole
CID 134147548
1-(2-propan-2-ylphenyl)-9H-pyrido[3,4-b]indole
CID 150354253

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-(9H-pyrido[3,4-b]indol-1-yl)prop-1-enyl]ethanimine?
The IUPAC name of N-[(Z)-3-(9H-pyrido[3,4-b]indol-1-yl)prop-1-enyl]ethanimine (CID 163547256) is N-[(Z)-3-(9H-pyrido[3,4-b]indol-1-yl)prop-1-enyl]ethanimine.
What is the SMILES notation for N-[(Z)-3-(9H-pyrido[3,4-b]indol-1-yl)prop-1-enyl]ethanimine?
The canonical SMILES for N-[(Z)-3-(9H-pyrido[3,4-b]indol-1-yl)prop-1-enyl]ethanimine is C/C=N/C=C\Cc1nccc2c1[nH]c1ccccc12.
What is the InChIKey of N-[(Z)-3-(9H-pyrido[3,4-b]indol-1-yl)prop-1-enyl]ethanimine?
The InChIKey is FGCIGPOTPGZMCJ-QHBOZUIVSA-N. The full InChI is InChI=1S/C16H15N3/c1-2-17-10-5-8-15-16-13(9-11-18-15)12-6-3-4-7-14(12)19-16/h2-7,9-11,19H,8H2,1H3/b10-5-,17-2+.
What are the key properties of N-[(Z)-3-(9H-pyrido[3,4-b]indol-1-yl)prop-1-enyl]ethanimine?
N-[(Z)-3-(9H-pyrido[3,4-b]indol-1-yl)prop-1-enyl]ethanimine has a molecular weight of 249.32 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-(9H-pyrido[3,4-b]indol-1-yl)prop-1-enyl]ethanimine is sourced from PubChem (CID 163547256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).