1,1-dimethyl-3-[(2-oxopyrrolidin-1-yl)methyl]indene-5-carbonitrile

C17H18N2O — CID 14896410

IUPAC1,1-dimethyl-3-[(2-oxopyrrolidin-1-yl)methyl]indene-5-carbonitrile
SMILESCC1(C)C=C(CN2CCCC2=O)c2cc(C#N)ccc21
InChIInChI=1S/C17H18N2O/c1-17(2)9-13(11-19-7-3-4-16(19)20)14-8-12(10-18)5-6-15(14)17/h5-6,8-9H,3-4,7,11H2,1-2H3
InChIKeyNSQFITXTSOXWRR-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.86
Rot. Bonds2

About 1,1-dimethyl-3-[(2-oxopyrrolidin-1-yl)methyl]indene-5-carbonitrile

1,1-dimethyl-3-[(2-oxopyrrolidin-1-yl)methyl]indene-5-carbonitrile (PubChem CID 14896410) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 1,1-dimethyl-3-[(2-oxopyrrolidin-1-yl)methyl]indene-5-carbonitrile.

Molecular Properties

Compound Name1,1-dimethyl-3-[(2-oxopyrrolidin-1-yl)methyl]indene-5-carbonitrile
PubChem CID14896410
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name1,1-dimethyl-3-[(2-oxopyrrolidin-1-yl)methyl]indene-5-carbonitrile
SMILESCC1(C)C=C(CN2CCCC2=O)c2cc(C#N)ccc21
InChIInChI=1S/C17H18N2O/c1-17(2)9-13(11-19-7-3-4-16(19)20)14-8-12(10-18)5-6-15(14)17/h5-6,8-9H,3-4,7,11H2,1-2H3
InChIKeyNSQFITXTSOXWRR-UHFFFAOYSA-N
XLogP2.86
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-[(2-oxopyrrolidin-1-yl)methyl]indene-5-carbonitrile?
The IUPAC name of 1,1-dimethyl-3-[(2-oxopyrrolidin-1-yl)methyl]indene-5-carbonitrile (CID 14896410) is 1,1-dimethyl-3-[(2-oxopyrrolidin-1-yl)methyl]indene-5-carbonitrile.
What is the SMILES notation for 1,1-dimethyl-3-[(2-oxopyrrolidin-1-yl)methyl]indene-5-carbonitrile?
The canonical SMILES for 1,1-dimethyl-3-[(2-oxopyrrolidin-1-yl)methyl]indene-5-carbonitrile is CC1(C)C=C(CN2CCCC2=O)c2cc(C#N)ccc21.
What is the InChIKey of 1,1-dimethyl-3-[(2-oxopyrrolidin-1-yl)methyl]indene-5-carbonitrile?
The InChIKey is NSQFITXTSOXWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-17(2)9-13(11-19-7-3-4-16(19)20)14-8-12(10-18)5-6-15(14)17/h5-6,8-9H,3-4,7,11H2,1-2H3.
What are the key properties of 1,1-dimethyl-3-[(2-oxopyrrolidin-1-yl)methyl]indene-5-carbonitrile?
1,1-dimethyl-3-[(2-oxopyrrolidin-1-yl)methyl]indene-5-carbonitrile has a molecular weight of 266.34 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-[(2-oxopyrrolidin-1-yl)methyl]indene-5-carbonitrile is sourced from PubChem (CID 14896410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).