2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile;propane;pyrrolidin-2-one

C19H28N2O2 — CID 156824538

IUPAC2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile;propane;pyrrolidin-2-one
SMILESCC1(C)CCc2cc(C#N)ccc2O1.CCC.O=C1CCCN1
InChIInChI=1S/C12H13NO.C4H7NO.C3H8/c1-12(2)6-5-10-7-9(8-13)3-4-11(10)14-12;6-4-2-1-3-5-4;1-3-2/h3-4,7H,5-6H2,1-2H3;1-3H2,(H,5,6);3H2,1-2H3
InChIKeyJJVRMKARXQTTEB-UHFFFAOYSA-N
MW316.45 g/mol
LogP3.97
Rot. Bonds

About 2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile;propane;pyrrolidin-2-one

2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile;propane;pyrrolidin-2-one (PubChem CID 156824538) has the molecular formula C19H28N2O2 and a molecular weight of 316.45 g/mol. Its IUPAC name is 2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile;propane;pyrrolidin-2-one.

Molecular Properties

Compound Name2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile;propane;pyrrolidin-2-one
PubChem CID156824538
Molecular FormulaC19H28N2O2
Molecular Weight316.45 g/mol
Exact Mass316.22
IUPAC Name2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile;propane;pyrrolidin-2-one
SMILESCC1(C)CCc2cc(C#N)ccc2O1.CCC.O=C1CCCN1
InChIInChI=1S/C12H13NO.C4H7NO.C3H8/c1-12(2)6-5-10-7-9(8-13)3-4-11(10)14-12;6-4-2-1-3-5-4;1-3-2/h3-4,7H,5-6H2,1-2H3;1-3H2,(H,5,6);3H2,1-2H3
InChIKeyJJVRMKARXQTTEB-UHFFFAOYSA-N
XLogP3.97
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile;propane;pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-dimethyl-4,5-dihydro-3H-1,4-benzoxazepine-7-carbonitrile;hydrochloride
CID 135149530
2,2-dimethyl-3,4-dihydro-1,4-benzoxazine-6-carbonitrile
CID 10535622
[(3S)-6-cyano-2,2-dimethyl-3,4-dihydrochromen-3-yl] dihydrogen phosphate;(4S)-2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)-3,4-dihydrochromene-6-carbonitrile;hydroxy-methyl-oxophosphanium;methanol;pyrrolidin-2-one
CID 156753965
4-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585742
6-chloro-2,2-dimethyl-3,4-dihydrochromene
CID 11769444
2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)-3H-1,4-benzoxazine-6-carbonitrile
CID 10730817
2,2-dimethyl-4,6,8,9-tetrahydro-3H-pyrano[2,3-g]quinolin-7-one
CID 67893320
6-(1-isocyanatocyclopropyl)-2,2-dimethyl-3,4-dihydrochromene
CID 117360107
pyrrolidin-2-one;hydrate
CID 19382566
ethane;6-fluoro-2,2-dimethyl-3,4-dihydrochromene
CID 143131950
N-(6-cyano-2,2-dimethyl-3,4-dihydrochromen-4-yl)-N-ethylethanesulfonamide
CID 21257146
ethanamine;pyrrolidin-2-one
CID 175437150

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile;propane;pyrrolidin-2-one?
The IUPAC name of 2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile;propane;pyrrolidin-2-one (CID 156824538) is 2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile;propane;pyrrolidin-2-one.
What is the SMILES notation for 2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile;propane;pyrrolidin-2-one?
The canonical SMILES for 2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile;propane;pyrrolidin-2-one is CC1(C)CCc2cc(C#N)ccc2O1.CCC.O=C1CCCN1.
What is the InChIKey of 2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile;propane;pyrrolidin-2-one?
The InChIKey is JJVRMKARXQTTEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO.C4H7NO.C3H8/c1-12(2)6-5-10-7-9(8-13)3-4-11(10)14-12;6-4-2-1-3-5-4;1-3-2/h3-4,7H,5-6H2,1-2H3;1-3H2,(H,5,6);3H2,1-2H3.
What are the key properties of 2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile;propane;pyrrolidin-2-one?
2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile;propane;pyrrolidin-2-one has a molecular weight of 316.45 g/mol, XLogP of 3.97, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile;propane;pyrrolidin-2-one is sourced from PubChem (CID 156824538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).