N-(2-hydroxycyclopentyl)-3-oxobutanamide

C9H15NO3 — CID 127002121

IUPACN-(2-hydroxycyclopentyl)-3-oxobutanamide
SMILESCC(=O)CC(=O)NC1CCCC1O
InChIInChI=1S/C9H15NO3/c1-6(11)5-9(13)10-7-3-2-4-8(7)12/h7-8,12H,2-5H2,1H3,(H,10,13)
InChIKeyPQICPLIENJCMDN-UHFFFAOYSA-N
MW185.22 g/mol
LogP-0.00
Rot. Bonds3

About N-(2-hydroxycyclopentyl)-3-oxobutanamide

N-(2-hydroxycyclopentyl)-3-oxobutanamide (PubChem CID 127002121) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is N-(2-hydroxycyclopentyl)-3-oxobutanamide.

Molecular Properties

Compound NameN-(2-hydroxycyclopentyl)-3-oxobutanamide
PubChem CID127002121
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC NameN-(2-hydroxycyclopentyl)-3-oxobutanamide
SMILESCC(=O)CC(=O)NC1CCCC1O
InChIInChI=1S/C9H15NO3/c1-6(11)5-9(13)10-7-3-2-4-8(7)12/h7-8,12H,2-5H2,1H3,(H,10,13)
InChIKeyPQICPLIENJCMDN-UHFFFAOYSA-N
XLogP-0.00
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxycyclopentyl)-3-oxobutanamide?
The IUPAC name of N-(2-hydroxycyclopentyl)-3-oxobutanamide (CID 127002121) is N-(2-hydroxycyclopentyl)-3-oxobutanamide.
What is the SMILES notation for N-(2-hydroxycyclopentyl)-3-oxobutanamide?
The canonical SMILES for N-(2-hydroxycyclopentyl)-3-oxobutanamide is CC(=O)CC(=O)NC1CCCC1O.
What is the InChIKey of N-(2-hydroxycyclopentyl)-3-oxobutanamide?
The InChIKey is PQICPLIENJCMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-6(11)5-9(13)10-7-3-2-4-8(7)12/h7-8,12H,2-5H2,1H3,(H,10,13).
What are the key properties of N-(2-hydroxycyclopentyl)-3-oxobutanamide?
N-(2-hydroxycyclopentyl)-3-oxobutanamide has a molecular weight of 185.22 g/mol, XLogP of -0.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxycyclopentyl)-3-oxobutanamide is sourced from PubChem (CID 127002121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).