1-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]cyclopropane-1-carbonitrile

C14H14N2O — CID 116837087

IUPAC1-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]cyclopropane-1-carbonitrile
SMILESCN1C(=O)Cc2cc(CC3(C#N)CC3)ccc21
InChIInChI=1S/C14H14N2O/c1-16-12-3-2-10(6-11(12)7-13(16)17)8-14(9-15)4-5-14/h2-3,6H,4-5,7-8H2,1H3
InChIKeyRFENNXRAQQHXEU-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.05
Rot. Bonds2

About 1-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]cyclopropane-1-carbonitrile

1-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]cyclopropane-1-carbonitrile (PubChem CID 116837087) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 1-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]cyclopropane-1-carbonitrile
PubChem CID116837087
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name1-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]cyclopropane-1-carbonitrile
SMILESCN1C(=O)Cc2cc(CC3(C#N)CC3)ccc21
InChIInChI=1S/C14H14N2O/c1-16-12-3-2-10(6-11(12)7-13(16)17)8-14(9-15)4-5-14/h2-3,6H,4-5,7-8H2,1H3
InChIKeyRFENNXRAQQHXEU-UHFFFAOYSA-N
XLogP2.05
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-Methyloxindole
CID 6096
1-Methyl-2,3-dioxo-2,3-dihydro-1H-indole-5-carbonitrile
CID 515953
N-Ethyloxindole
CID 66135
3-(3,3-Dimethyl-2-oxoindolin-5-yl)benzonitrile
CID 9903358
1H-Indole-3-acetonitrile, 2,3-dihydro-2-oxo-
CID 98365
2-Oxo-2,3-dihydro-1H-indole-5-carbonitrile
CID 2773346
3-[1-(4-Dimethylamino-phenyl)-meth-(Z)-ylidene]-1-methyl-1,3-dihydro-indol-2-one
CID 5293755
3-(1',2'-Dihydro-2'-oxospiro[cyclohexane-1,3'-[3H]indol]-5'-yl)benzonitrile
CID 9817870
5'-(3Cyanophenyl)-spiro[cyclopentane-1,3'-[3H]indol]-2'(1'H)-one
CID 9947878
1''-cyclooctylmethyl-5-isopropyl-1-methylspiro[2,3-dihydro-1H-indole-3,4''-(hexahydropyridine)]-2-one
CID 15982529
1''-cyclooctylmethyl-1-methyl-5-trifluoromethylspiro[2,3-dihydro-1H-indole-3,4''-(hexahydropyridine)]-2-one
CID 15982530
3-(3,3-Dimethyl-2-oxoindolin-5-yl)-5-fluorobenzonitrile
CID 22019347

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]cyclopropane-1-carbonitrile (CID 116837087) is 1-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]cyclopropane-1-carbonitrile is CN1C(=O)Cc2cc(CC3(C#N)CC3)ccc21.
What is the InChIKey of 1-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]cyclopropane-1-carbonitrile?
The InChIKey is RFENNXRAQQHXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c1-16-12-3-2-10(6-11(12)7-13(16)17)8-14(9-15)4-5-14/h2-3,6H,4-5,7-8H2,1H3.
What are the key properties of 1-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]cyclopropane-1-carbonitrile?
1-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]cyclopropane-1-carbonitrile has a molecular weight of 226.28 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 116837087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).