N,N,3-trimethyl-4-oxocyclopentane-1-carboxamide

C9H15NO2 — CID 71442109

IUPACN,N,3-trimethyl-4-oxocyclopentane-1-carboxamide
SMILESCC1CC(C(=O)N(C)C)CC1=O
InChIInChI=1S/C9H15NO2/c1-6-4-7(5-8(6)11)9(12)10(2)3/h6-7H,4-5H2,1-3H3
InChIKeyFRTPMOYQQSJRPN-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.69
Rot. Bonds1

About N,N,3-trimethyl-4-oxocyclopentane-1-carboxamide

N,N,3-trimethyl-4-oxocyclopentane-1-carboxamide (PubChem CID 71442109) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is N,N,3-trimethyl-4-oxocyclopentane-1-carboxamide.

Molecular Properties

Compound NameN,N,3-trimethyl-4-oxocyclopentane-1-carboxamide
PubChem CID71442109
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC NameN,N,3-trimethyl-4-oxocyclopentane-1-carboxamide
SMILESCC1CC(C(=O)N(C)C)CC1=O
InChIInChI=1S/C9H15NO2/c1-6-4-7(5-8(6)11)9(12)10(2)3/h6-7H,4-5H2,1-3H3
InChIKeyFRTPMOYQQSJRPN-UHFFFAOYSA-N
XLogP0.69
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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(2S,4R,5R)-4,5-dihydroxy-2-methylcyclohexan-1-one
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cis-(1S,3R)-N-[(1-hydroxycyclopentyl)methyl]-N,3-dimethyl-4-oxocyclohexane-1-carboxamide
CID 129344853
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Frequently Asked Questions

What is the IUPAC name of N,N,3-trimethyl-4-oxocyclopentane-1-carboxamide?
The IUPAC name of N,N,3-trimethyl-4-oxocyclopentane-1-carboxamide (CID 71442109) is N,N,3-trimethyl-4-oxocyclopentane-1-carboxamide.
What is the SMILES notation for N,N,3-trimethyl-4-oxocyclopentane-1-carboxamide?
The canonical SMILES for N,N,3-trimethyl-4-oxocyclopentane-1-carboxamide is CC1CC(C(=O)N(C)C)CC1=O.
What is the InChIKey of N,N,3-trimethyl-4-oxocyclopentane-1-carboxamide?
The InChIKey is FRTPMOYQQSJRPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-6-4-7(5-8(6)11)9(12)10(2)3/h6-7H,4-5H2,1-3H3.
What are the key properties of N,N,3-trimethyl-4-oxocyclopentane-1-carboxamide?
N,N,3-trimethyl-4-oxocyclopentane-1-carboxamide has a molecular weight of 169.22 g/mol, XLogP of 0.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,3-trimethyl-4-oxocyclopentane-1-carboxamide is sourced from PubChem (CID 71442109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).