2-(1H-pyrrolo[2,3-h]quinolin-2-yl)acetonitrile

C13H9N3 — CID 139641490

IUPAC2-(1H-pyrrolo[2,3-h]quinolin-2-yl)acetonitrile
SMILESN#CCc1ccc2ccc3nccc3c2[nH]1
InChIInChI=1S/C13H9N3/c14-7-5-10-3-1-9-2-4-12-11(6-8-15-12)13(9)16-10/h1-4,6,8,16H,5H2
InChIKeyNMQMZOCDSVTIRA-UHFFFAOYSA-N
MW207.24 g/mol
LogP2.78
Rot. Bonds1

About 2-(1H-pyrrolo[2,3-h]quinolin-2-yl)acetonitrile

2-(1H-pyrrolo[2,3-h]quinolin-2-yl)acetonitrile (PubChem CID 139641490) has the molecular formula C13H9N3 and a molecular weight of 207.24 g/mol. Its IUPAC name is 2-(1H-pyrrolo[2,3-h]quinolin-2-yl)acetonitrile.

Molecular Properties

Compound Name2-(1H-pyrrolo[2,3-h]quinolin-2-yl)acetonitrile
PubChem CID139641490
Molecular FormulaC13H9N3
Molecular Weight207.24 g/mol
Exact Mass207.08
IUPAC Name2-(1H-pyrrolo[2,3-h]quinolin-2-yl)acetonitrile
SMILESN#CCc1ccc2ccc3nccc3c2[nH]1
InChIInChI=1S/C13H9N3/c14-7-5-10-3-1-9-2-4-12-11(6-8-15-12)13(9)16-10/h1-4,6,8,16H,5H2
InChIKeyNMQMZOCDSVTIRA-UHFFFAOYSA-N
XLogP2.78
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3,6,8-tetramethyl-1H-pyrrolo[3,2-h]quinoline
CID 1504463
Dihydropyrroloisoquinoline
CID 66919674
Tetrahydroindolo[2,3-d]azepine
CID 87087142
2-methyl-1H-pyrido[2,3-a]carbazole
CID 136493873
Trifluoromethylpyrroloquinoline
CID 137225245
2-(fluoromethyl)-1H-pyrrolo[2,3-h]quinoline
CID 141446873
2-(trifluoromethyl)-1H-pyrrolo[2,3-h]quinolin-7-ium
CID 174794836
2,4,8,9-tetramethyl-7H-pyrrolo[2,3-h]quinoline
CID 135505015
2,4-dimethyl-6H-pyrido[3,2-b]carbazole
CID 160407
2,3-dimethyl-9H-pyrrolo[2,3-f]quinoxaline
CID 638710
7H-indol-5-amine
CID 67505292
1,2-Dihydropyrido[2,3-c][1]benzazocine
CID 69292210

Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrrolo[2,3-h]quinolin-2-yl)acetonitrile?
The IUPAC name of 2-(1H-pyrrolo[2,3-h]quinolin-2-yl)acetonitrile (CID 139641490) is 2-(1H-pyrrolo[2,3-h]quinolin-2-yl)acetonitrile.
What is the SMILES notation for 2-(1H-pyrrolo[2,3-h]quinolin-2-yl)acetonitrile?
The canonical SMILES for 2-(1H-pyrrolo[2,3-h]quinolin-2-yl)acetonitrile is N#CCc1ccc2ccc3nccc3c2[nH]1.
What is the InChIKey of 2-(1H-pyrrolo[2,3-h]quinolin-2-yl)acetonitrile?
The InChIKey is NMQMZOCDSVTIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3/c14-7-5-10-3-1-9-2-4-12-11(6-8-15-12)13(9)16-10/h1-4,6,8,16H,5H2.
What are the key properties of 2-(1H-pyrrolo[2,3-h]quinolin-2-yl)acetonitrile?
2-(1H-pyrrolo[2,3-h]quinolin-2-yl)acetonitrile has a molecular weight of 207.24 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrrolo[2,3-h]quinolin-2-yl)acetonitrile is sourced from PubChem (CID 139641490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).