4-(1-acetylcyclopentyl)butan-2-one

C11H18O2 — CID 123974619

IUPAC4-(1-acetylcyclopentyl)butan-2-one
SMILESCC(=O)CCC1(C(C)=O)CCCC1
InChIInChI=1S/C11H18O2/c1-9(12)5-8-11(10(2)13)6-3-4-7-11/h3-8H2,1-2H3
InChIKeyCWGKNXWMUHPFEI-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.51
Rot. Bonds4

About 4-(1-acetylcyclopentyl)butan-2-one

4-(1-acetylcyclopentyl)butan-2-one (PubChem CID 123974619) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 4-(1-acetylcyclopentyl)butan-2-one.

Molecular Properties

Compound Name4-(1-acetylcyclopentyl)butan-2-one
PubChem CID123974619
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name4-(1-acetylcyclopentyl)butan-2-one
SMILESCC(=O)CCC1(C(C)=O)CCCC1
InChIInChI=1S/C11H18O2/c1-9(12)5-8-11(10(2)13)6-3-4-7-11/h3-8H2,1-2H3
InChIKeyCWGKNXWMUHPFEI-UHFFFAOYSA-N
XLogP2.51
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1-aminocyclopentyl)butan-2-one
CID 59453961
1-[1-(aminomethyl)cyclopentyl]ethanone;hydrochloride
CID 86775853
1-(3-methylbut-3-enyl)cyclohexane-1-carboxylic acid
CID 114473263
4-(3-oxobutyl)oxane-4-carboxamide
CID 143045397
1-[15-(1-acetylcyclopentyl)pentadec-8-enyl]cyclopentane-1-carboxylic acid
CID 159686887
4-(1-methoxycyclopropyl)butan-2-one
CID 118668806
1-(2-carboxyethyl)cyclodecane-1-carboxylic acid
CID 66633361
1-(2-oxopropyl)cyclohexane-1-carboxamide
CID 20653176
1-(1-octylcyclopropyl)ethanone
CID 22042371
ethyl 2-[1-(3-oxobutyl)cyclohexyl]acetate
CID 174738160
hexane-2,5-dione
CID 8035
3-(1-acetylcyclopropyl)-N-phenylpropanamide
CID 175883051

Frequently Asked Questions

What is the IUPAC name of 4-(1-acetylcyclopentyl)butan-2-one?
The IUPAC name of 4-(1-acetylcyclopentyl)butan-2-one (CID 123974619) is 4-(1-acetylcyclopentyl)butan-2-one.
What is the SMILES notation for 4-(1-acetylcyclopentyl)butan-2-one?
The canonical SMILES for 4-(1-acetylcyclopentyl)butan-2-one is CC(=O)CCC1(C(C)=O)CCCC1.
What is the InChIKey of 4-(1-acetylcyclopentyl)butan-2-one?
The InChIKey is CWGKNXWMUHPFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-9(12)5-8-11(10(2)13)6-3-4-7-11/h3-8H2,1-2H3.
What are the key properties of 4-(1-acetylcyclopentyl)butan-2-one?
4-(1-acetylcyclopentyl)butan-2-one has a molecular weight of 182.26 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-acetylcyclopentyl)butan-2-one is sourced from PubChem (CID 123974619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).