1-[4-(1-ethoxyethenyl)-2-pyridinyl]indole-3-carbonitrile

C18H15N3O — CID 145493884

IUPAC1-[4-(1-ethoxyethenyl)-2-pyridinyl]indole-3-carbonitrile
SMILESC=C(OCC)c1ccnc(-n2cc(C#N)c3ccccc32)c1
InChIInChI=1S/C18H15N3O/c1-3-22-13(2)14-8-9-20-18(10-14)21-12-15(11-19)16-6-4-5-7-17(16)21/h4-10,12H,2-3H2,1H3
InChIKeyGZOOQUSFWLWMDP-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.90
Rot. Bonds4

About 1-[4-(1-ethoxyethenyl)-2-pyridinyl]indole-3-carbonitrile

1-[4-(1-ethoxyethenyl)-2-pyridinyl]indole-3-carbonitrile (PubChem CID 145493884) has the molecular formula C18H15N3O and a molecular weight of 289.34 g/mol. Its IUPAC name is 1-[4-(1-ethoxyethenyl)-2-pyridinyl]indole-3-carbonitrile.

Molecular Properties

Compound Name1-[4-(1-ethoxyethenyl)-2-pyridinyl]indole-3-carbonitrile
PubChem CID145493884
Molecular FormulaC18H15N3O
Molecular Weight289.34 g/mol
Exact Mass289.12
IUPAC Name1-[4-(1-ethoxyethenyl)-2-pyridinyl]indole-3-carbonitrile
SMILESC=C(OCC)c1ccnc(-n2cc(C#N)c3ccccc32)c1
InChIInChI=1S/C18H15N3O/c1-3-22-13(2)14-8-9-20-18(10-14)21-12-15(11-19)16-6-4-5-7-17(16)21/h4-10,12H,2-3H2,1H3
InChIKeyGZOOQUSFWLWMDP-UHFFFAOYSA-N
XLogP3.90
TPSA50.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

ethyl (2R)-2-(3-cyanoindol-1-yl)propanoate
CID 134861121
4-(1-ethoxyethenyl)-2-phenylpyridine
CID 141200949
1-[1-(4-methyl-2-pyridinyl)indol-3-yl]ethanone
CID 58206222
1-(3-bromoprop-1-en-2-yl)indole-3-carbonitrile
CID 121015352
1-(4-ethoxybenzoyl)indole-3-carbonitrile
CID 91689445
1-trimethylsilyloxyindole-3-carbonitrile
CID 134907064
ethyl 4-(3-cyano-5-methylindol-1-yl)benzoate
CID 59224858
2-(1-ethoxyethenyl)-1-methylindole
CID 143529432
1-(4-chloro-3-pyridinyl)indole-3-carbonitrile
CID 129239980
ethyl 2-[3-(4-tert-butylphenyl)-4-cyanopyrrol-1-yl]pyridine-4-carboxylate
CID 59477749
1-(2-methyl-3-pyridinyl)-6-nitroindole-3-carbonitrile
CID 155391971
4-(3-cyanoindol-1-yl)-2-methoxybenzoic acid
CID 58437505

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-ethoxyethenyl)-2-pyridinyl]indole-3-carbonitrile?
The IUPAC name of 1-[4-(1-ethoxyethenyl)-2-pyridinyl]indole-3-carbonitrile (CID 145493884) is 1-[4-(1-ethoxyethenyl)-2-pyridinyl]indole-3-carbonitrile.
What is the SMILES notation for 1-[4-(1-ethoxyethenyl)-2-pyridinyl]indole-3-carbonitrile?
The canonical SMILES for 1-[4-(1-ethoxyethenyl)-2-pyridinyl]indole-3-carbonitrile is C=C(OCC)c1ccnc(-n2cc(C#N)c3ccccc32)c1.
What is the InChIKey of 1-[4-(1-ethoxyethenyl)-2-pyridinyl]indole-3-carbonitrile?
The InChIKey is GZOOQUSFWLWMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O/c1-3-22-13(2)14-8-9-20-18(10-14)21-12-15(11-19)16-6-4-5-7-17(16)21/h4-10,12H,2-3H2,1H3.
What are the key properties of 1-[4-(1-ethoxyethenyl)-2-pyridinyl]indole-3-carbonitrile?
1-[4-(1-ethoxyethenyl)-2-pyridinyl]indole-3-carbonitrile has a molecular weight of 289.34 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-ethoxyethenyl)-2-pyridinyl]indole-3-carbonitrile is sourced from PubChem (CID 145493884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).