1-pent-4-enylindole-6-carbonitrile

C14H14N2 — CID 107917054

IUPAC1-pent-4-enylindole-6-carbonitrile
SMILESC=CCCCn1ccc2ccc(C#N)cc21
InChIInChI=1S/C14H14N2/c1-2-3-4-8-16-9-7-13-6-5-12(11-15)10-14(13)16/h2,5-7,9-10H,1,3-4,8H2
InChIKeyGXGUPXLQUYKVFH-UHFFFAOYSA-N
MW210.28 g/mol
LogP3.48
Rot. Bonds4

About 1-pent-4-enylindole-6-carbonitrile

1-pent-4-enylindole-6-carbonitrile (PubChem CID 107917054) has the molecular formula C14H14N2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-pent-4-enylindole-6-carbonitrile.

Molecular Properties

Compound Name1-pent-4-enylindole-6-carbonitrile
PubChem CID107917054
Molecular FormulaC14H14N2
Molecular Weight210.28 g/mol
Exact Mass210.12
IUPAC Name1-pent-4-enylindole-6-carbonitrile
SMILESC=CCCCn1ccc2ccc(C#N)cc21
InChIInChI=1S/C14H14N2/c1-2-3-4-8-16-9-7-13-6-5-12(11-15)10-14(13)16/h2,5-7,9-10H,1,3-4,8H2
InChIKeyGXGUPXLQUYKVFH-UHFFFAOYSA-N
XLogP3.48
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-prop-2-enylindole-6-carbonitrile
CID 107917180
1-(3-hydroxypropyl)indole-6-carbonitrile
CID 15490884
1-(2-propan-2-yloxyethyl)indole-6-carbonitrile
CID 107917142
cobalt;1-ethylindole-6-carbonitrile
CID 58657427
1-(1-hept-6-enylindol-6-yl)-N-methylmethanamine
CID 107010398
ethanol;1-ethylindole-6-carbonitrile
CID 143239367
1-(2-propylsulfonylethyl)indole-6-carbonitrile
CID 107917116
1-but-3-enylindol-6-amine
CID 165471845
6-bromo-1-but-3-enylindole
CID 116622027
1-(2-ethylbutyl)indole-6-carbonitrile
CID 114015638
1-[(1-methylpyrazol-3-yl)methyl]indole-6-carbonitrile
CID 107917098
1-(pyridin-4-ylmethyl)indole-6-carbonitrile
CID 107916985

Frequently Asked Questions

What is the IUPAC name of 1-pent-4-enylindole-6-carbonitrile?
The IUPAC name of 1-pent-4-enylindole-6-carbonitrile (CID 107917054) is 1-pent-4-enylindole-6-carbonitrile.
What is the SMILES notation for 1-pent-4-enylindole-6-carbonitrile?
The canonical SMILES for 1-pent-4-enylindole-6-carbonitrile is C=CCCCn1ccc2ccc(C#N)cc21.
What is the InChIKey of 1-pent-4-enylindole-6-carbonitrile?
The InChIKey is GXGUPXLQUYKVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2/c1-2-3-4-8-16-9-7-13-6-5-12(11-15)10-14(13)16/h2,5-7,9-10H,1,3-4,8H2.
What are the key properties of 1-pent-4-enylindole-6-carbonitrile?
1-pent-4-enylindole-6-carbonitrile has a molecular weight of 210.28 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pent-4-enylindole-6-carbonitrile is sourced from PubChem (CID 107917054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).