1-(3-hydroxypropyl)indole-6-carbonitrile

C12H12N2O — CID 15490884

IUPAC1-(3-hydroxypropyl)indole-6-carbonitrile
SMILESN#Cc1ccc2ccn(CCCO)c2c1
InChIInChI=1S/C12H12N2O/c13-9-10-2-3-11-4-6-14(5-1-7-15)12(11)8-10/h2-4,6,8,15H,1,5,7H2
InChIKeyBPORFBCKDWURMY-UHFFFAOYSA-N
MW200.24 g/mol
LogP1.90
Rot. Bonds3

About 1-(3-hydroxypropyl)indole-6-carbonitrile

1-(3-hydroxypropyl)indole-6-carbonitrile (PubChem CID 15490884) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 1-(3-hydroxypropyl)indole-6-carbonitrile.

Molecular Properties

Compound Name1-(3-hydroxypropyl)indole-6-carbonitrile
PubChem CID15490884
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name1-(3-hydroxypropyl)indole-6-carbonitrile
SMILESN#Cc1ccc2ccn(CCCO)c2c1
InChIInChI=1S/C12H12N2O/c13-9-10-2-3-11-4-6-14(5-1-7-15)12(11)8-10/h2-4,6,8,15H,1,5,7H2
InChIKeyBPORFBCKDWURMY-UHFFFAOYSA-N
XLogP1.90
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-pent-4-enylindole-6-carbonitrile
CID 107917054
ethanol;1-ethylindole-6-carbonitrile
CID 143239367
1-prop-2-enylindole-6-carbonitrile
CID 107917180
cobalt;1-ethylindole-6-carbonitrile
CID 58657427
1-(2-propan-2-yloxyethyl)indole-6-carbonitrile
CID 107917142
3-[6-(aminomethyl)indol-1-yl]propan-1-ol
CID 102916381
1-(3-hydroxypropyl)indole-6-carbaldehyde
CID 102911092
hydrazinyl 3-(6-cyanoindol-1-yl)propanoate
CID 107917655
1-(2-propylsulfonylethyl)indole-6-carbonitrile
CID 107917116
4-(6-bromoindol-1-yl)butan-1-ol
CID 116621821
1-hydroxyindole-6-carbonitrile
CID 13415512
1-(2-ethylbutyl)indole-6-carbonitrile
CID 114015638

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypropyl)indole-6-carbonitrile?
The IUPAC name of 1-(3-hydroxypropyl)indole-6-carbonitrile (CID 15490884) is 1-(3-hydroxypropyl)indole-6-carbonitrile.
What is the SMILES notation for 1-(3-hydroxypropyl)indole-6-carbonitrile?
The canonical SMILES for 1-(3-hydroxypropyl)indole-6-carbonitrile is N#Cc1ccc2ccn(CCCO)c2c1.
What is the InChIKey of 1-(3-hydroxypropyl)indole-6-carbonitrile?
The InChIKey is BPORFBCKDWURMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c13-9-10-2-3-11-4-6-14(5-1-7-15)12(11)8-10/h2-4,6,8,15H,1,5,7H2.
What are the key properties of 1-(3-hydroxypropyl)indole-6-carbonitrile?
1-(3-hydroxypropyl)indole-6-carbonitrile has a molecular weight of 200.24 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypropyl)indole-6-carbonitrile is sourced from PubChem (CID 15490884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).