2-amino-7,7-dimethyl-5-oxospiro[6,8-dihydrochromene-4,1'-cyclopentane]-3-carbonitrile

C16H20N2O2 — CID 758972

IUPAC2-amino-7,7-dimethyl-5-oxospiro[6,8-dihydrochromene-4,1'-cyclopentane]-3-carbonitrile
SMILESCC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)C21CCCC1
InChIInChI=1S/C16H20N2O2/c1-15(2)7-11(19)13-12(8-15)20-14(18)10(9-17)16(13)5-3-4-6-16/h3-8,18H2,1-2H3
InChIKeyQQJVULBHWVKADA-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.91
Rot. Bonds

About 2-amino-7,7-dimethyl-5-oxospiro[6,8-dihydrochromene-4,1'-cyclopentane]-3-carbonitrile

2-amino-7,7-dimethyl-5-oxospiro[6,8-dihydrochromene-4,1'-cyclopentane]-3-carbonitrile (PubChem CID 758972) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-amino-7,7-dimethyl-5-oxospiro[6,8-dihydrochromene-4,1'-cyclopentane]-3-carbonitrile.

Molecular Properties

Compound Name2-amino-7,7-dimethyl-5-oxospiro[6,8-dihydrochromene-4,1'-cyclopentane]-3-carbonitrile
PubChem CID758972
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-amino-7,7-dimethyl-5-oxospiro[6,8-dihydrochromene-4,1'-cyclopentane]-3-carbonitrile
SMILESCC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)C21CCCC1
InChIInChI=1S/C16H20N2O2/c1-15(2)7-11(19)13-12(8-15)20-14(18)10(9-17)16(13)5-3-4-6-16/h3-8,18H2,1-2H3
InChIKeyQQJVULBHWVKADA-UHFFFAOYSA-N
XLogP2.91
TPSA76.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7,7-dimethyl-5-oxospiro[6,8-dihydrochromene-4,1'-cyclopentane]-3-carbonitrile?
The IUPAC name of 2-amino-7,7-dimethyl-5-oxospiro[6,8-dihydrochromene-4,1'-cyclopentane]-3-carbonitrile (CID 758972) is 2-amino-7,7-dimethyl-5-oxospiro[6,8-dihydrochromene-4,1'-cyclopentane]-3-carbonitrile.
What is the SMILES notation for 2-amino-7,7-dimethyl-5-oxospiro[6,8-dihydrochromene-4,1'-cyclopentane]-3-carbonitrile?
The canonical SMILES for 2-amino-7,7-dimethyl-5-oxospiro[6,8-dihydrochromene-4,1'-cyclopentane]-3-carbonitrile is CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)C21CCCC1.
What is the InChIKey of 2-amino-7,7-dimethyl-5-oxospiro[6,8-dihydrochromene-4,1'-cyclopentane]-3-carbonitrile?
The InChIKey is QQJVULBHWVKADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-15(2)7-11(19)13-12(8-15)20-14(18)10(9-17)16(13)5-3-4-6-16/h3-8,18H2,1-2H3.
What are the key properties of 2-amino-7,7-dimethyl-5-oxospiro[6,8-dihydrochromene-4,1'-cyclopentane]-3-carbonitrile?
2-amino-7,7-dimethyl-5-oxospiro[6,8-dihydrochromene-4,1'-cyclopentane]-3-carbonitrile has a molecular weight of 272.35 g/mol, XLogP of 2.91, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7,7-dimethyl-5-oxospiro[6,8-dihydrochromene-4,1'-cyclopentane]-3-carbonitrile is sourced from PubChem (CID 758972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).