3'-propan-2-ylspiro[6,7-dihydro-3H-chromene-2,1'-cyclopentane]-4-one

C16H22O2 — CID 91452244

IUPAC3'-propan-2-ylspiro[6,7-dihydro-3H-chromene-2,1'-cyclopentane]-4-one
SMILESCC(C)C1CCC2(CC(=O)C3=CCCC=C3O2)C1
InChIInChI=1S/C16H22O2/c1-11(2)12-7-8-16(9-12)10-14(17)13-5-3-4-6-15(13)18-16/h5-6,11-12H,3-4,7-10H2,1-2H3
InChIKeyVJSQDLLLBYRFLO-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.77
Rot. Bonds1

About 3'-propan-2-ylspiro[6,7-dihydro-3H-chromene-2,1'-cyclopentane]-4-one

3'-propan-2-ylspiro[6,7-dihydro-3H-chromene-2,1'-cyclopentane]-4-one (PubChem CID 91452244) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is 3'-propan-2-ylspiro[6,7-dihydro-3H-chromene-2,1'-cyclopentane]-4-one.

Molecular Properties

Compound Name3'-propan-2-ylspiro[6,7-dihydro-3H-chromene-2,1'-cyclopentane]-4-one
PubChem CID91452244
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name3'-propan-2-ylspiro[6,7-dihydro-3H-chromene-2,1'-cyclopentane]-4-one
SMILESCC(C)C1CCC2(CC(=O)C3=CCCC=C3O2)C1
InChIInChI=1S/C16H22O2/c1-11(2)12-7-8-16(9-12)10-14(17)13-5-3-4-6-15(13)18-16/h5-6,11-12H,3-4,7-10H2,1-2H3
InChIKeyVJSQDLLLBYRFLO-UHFFFAOYSA-N
XLogP3.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3'-propan-2-ylspiro[6,7-dihydro-3H-chromene-2,1'-cyclopentane]-4-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

2,7,8-Trimethyl-5-methylidene-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-one
CID 100958630
6,8-Dimethylspiro[3,6-dihydrocyclohepta[b]pyran-2,1'-cyclooctane]-4-one
CID 143574311
(4S,5S,8R)-8,12-dimethyl-11-methylidene-4-(4-methylpent-3-enyl)-2-oxatricyclo[7.3.1.05,13]trideca-1(12),9(13)-dien-10-one
CID 147798416
(4S,5S)-8,12-dimethyl-11-methylidene-4-(4-methylpent-3-enyl)-2-oxatricyclo[7.3.1.05,13]trideca-1(12),9(13)-dien-10-one
CID 158510816
1-[(1Z,7S)-2,5,6,6,7-pentamethyl-10-oxabicyclo[5.2.1]deca-1,8-dien-8-yl]ethanone
CID 173565362
(2R)-2,7,8-trimethyl-5-methylidene-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-one
CID 101218977
(4S,5S,8R)-8,12-dimethyl-4-(5-methylhex-4-enyl)-11-methylidene-2-oxatricyclo[7.3.1.05,13]trideca-1(12),9(13)-dien-10-one
CID 158830141
(2S)-2,7,8-trimethyl-5-methylidene-2-[(2R,4R)-2,4,8-trimethylnonyl]-3,4-dihydrochromen-6-one
CID 177408906

Frequently Asked Questions

What is the IUPAC name of 3'-propan-2-ylspiro[6,7-dihydro-3H-chromene-2,1'-cyclopentane]-4-one?
The IUPAC name of 3'-propan-2-ylspiro[6,7-dihydro-3H-chromene-2,1'-cyclopentane]-4-one (CID 91452244) is 3'-propan-2-ylspiro[6,7-dihydro-3H-chromene-2,1'-cyclopentane]-4-one.
What is the SMILES notation for 3'-propan-2-ylspiro[6,7-dihydro-3H-chromene-2,1'-cyclopentane]-4-one?
The canonical SMILES for 3'-propan-2-ylspiro[6,7-dihydro-3H-chromene-2,1'-cyclopentane]-4-one is CC(C)C1CCC2(CC(=O)C3=CCCC=C3O2)C1.
What is the InChIKey of 3'-propan-2-ylspiro[6,7-dihydro-3H-chromene-2,1'-cyclopentane]-4-one?
The InChIKey is VJSQDLLLBYRFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2/c1-11(2)12-7-8-16(9-12)10-14(17)13-5-3-4-6-15(13)18-16/h5-6,11-12H,3-4,7-10H2,1-2H3.
What are the key properties of 3'-propan-2-ylspiro[6,7-dihydro-3H-chromene-2,1'-cyclopentane]-4-one?
3'-propan-2-ylspiro[6,7-dihydro-3H-chromene-2,1'-cyclopentane]-4-one has a molecular weight of 246.35 g/mol, XLogP of 3.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-propan-2-ylspiro[6,7-dihydro-3H-chromene-2,1'-cyclopentane]-4-one is sourced from PubChem (CID 91452244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).