6-ethylspiro[3H-chromene-2,1'-cyclopentane]-4-one

C15H18O2 — CID 91264802

IUPAC6-ethylspiro[3H-chromene-2,1'-cyclopentane]-4-one
SMILESCCc1ccc2c(c1)C(=O)CC1(CCCC1)O2
InChIInChI=1S/C15H18O2/c1-2-11-5-6-14-12(9-11)13(16)10-15(17-14)7-3-4-8-15/h5-6,9H,2-4,7-8,10H2,1H3
InChIKeyDEJNDSBSBUEVCO-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.53
Rot. Bonds1

About 6-ethylspiro[3H-chromene-2,1'-cyclopentane]-4-one

6-ethylspiro[3H-chromene-2,1'-cyclopentane]-4-one (PubChem CID 91264802) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 6-ethylspiro[3H-chromene-2,1'-cyclopentane]-4-one.

Molecular Properties

Compound Name6-ethylspiro[3H-chromene-2,1'-cyclopentane]-4-one
PubChem CID91264802
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name6-ethylspiro[3H-chromene-2,1'-cyclopentane]-4-one
SMILESCCc1ccc2c(c1)C(=O)CC1(CCCC1)O2
InChIInChI=1S/C15H18O2/c1-2-11-5-6-14-12(9-11)13(16)10-15(17-14)7-3-4-8-15/h5-6,9H,2-4,7-8,10H2,1H3
InChIKeyDEJNDSBSBUEVCO-UHFFFAOYSA-N
XLogP3.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-methylspiro[3H-chromene-2,1'-cyclohexane]-4-one
CID 90985582
6-hydroxyspiro[3H-chromene-2,1'-cyclohexane]-4-one
CID 3243908
methyl 4-oxospiro[3H-chromene-2,1'-cyclopentane]-6-carboxylate
CID 58407044
6-fluoro-1',1'-dimethylspiro[3H-chromene-2,4'-cyclohexane]-4-one
CID 114672216
N-[(4-methoxyphenyl)methyl]-2-(4-oxospiro[3H-chromene-2,1'-cyclohexane]-6-yl)oxyacetamide
CID 22427224
(4-oxospiro[3H-chromene-2,1'-cyclohexane]-6-yl) benzenesulfonate
CID 10761803
6-tert-butyl-1'-ethylsulfonylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 100759436
1'-[4-(4-ethylphenoxy)butanoyl]-6-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758828
N-butyl-2-(4-oxospiro[3H-chromene-2,1'-cyclohexane]-6-yl)oxyacetamide
CID 22427225
6-bromo-4'-propan-2-ylspiro[3H-chromene-2,1'-cycloheptane]-4-one
CID 114674282
7-methoxyspiro[3H-chromene-2,1'-cyclooctane]-4-one
CID 114672429
1'-butanoyl-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108734528

Frequently Asked Questions

What is the IUPAC name of 6-ethylspiro[3H-chromene-2,1'-cyclopentane]-4-one?
The IUPAC name of 6-ethylspiro[3H-chromene-2,1'-cyclopentane]-4-one (CID 91264802) is 6-ethylspiro[3H-chromene-2,1'-cyclopentane]-4-one.
What is the SMILES notation for 6-ethylspiro[3H-chromene-2,1'-cyclopentane]-4-one?
The canonical SMILES for 6-ethylspiro[3H-chromene-2,1'-cyclopentane]-4-one is CCc1ccc2c(c1)C(=O)CC1(CCCC1)O2.
What is the InChIKey of 6-ethylspiro[3H-chromene-2,1'-cyclopentane]-4-one?
The InChIKey is DEJNDSBSBUEVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2/c1-2-11-5-6-14-12(9-11)13(16)10-15(17-14)7-3-4-8-15/h5-6,9H,2-4,7-8,10H2,1H3.
What are the key properties of 6-ethylspiro[3H-chromene-2,1'-cyclopentane]-4-one?
6-ethylspiro[3H-chromene-2,1'-cyclopentane]-4-one has a molecular weight of 230.31 g/mol, XLogP of 3.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethylspiro[3H-chromene-2,1'-cyclopentane]-4-one is sourced from PubChem (CID 91264802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).