4-(cyclopropen-1-yl)-1-methylpiperidin-2-one

C9H13NO — CID 123650509

IUPAC4-(cyclopropen-1-yl)-1-methylpiperidin-2-one
SMILESCN1CCC(C2=CC2)CC1=O
InChIInChI=1S/C9H13NO/c1-10-5-4-8(6-9(10)11)7-2-3-7/h2,8H,3-6H2,1H3
InChIKeyUUPKGKFYTQZSSZ-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.18
Rot. Bonds1

About 4-(cyclopropen-1-yl)-1-methylpiperidin-2-one

4-(cyclopropen-1-yl)-1-methylpiperidin-2-one (PubChem CID 123650509) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 4-(cyclopropen-1-yl)-1-methylpiperidin-2-one.

Molecular Properties

Compound Name4-(cyclopropen-1-yl)-1-methylpiperidin-2-one
PubChem CID123650509
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name4-(cyclopropen-1-yl)-1-methylpiperidin-2-one
SMILESCN1CCC(C2=CC2)CC1=O
InChIInChI=1S/C9H13NO/c1-10-5-4-8(6-9(10)11)7-2-3-7/h2,8H,3-6H2,1H3
InChIKeyUUPKGKFYTQZSSZ-UHFFFAOYSA-N
XLogP1.18
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(4R)-4-methoxy-1-methylpiperidin-2-one
CID 118584700
4-(2-fluoro-3-pyridinyl)-1-methylpiperidin-2-one
CID 59327010
(4S)-4-(6-amino-5-bromo-3-pyridinyl)-1-methylpiperidin-2-one
CID 125487244
4-(ethylamino)-1-methylpiperidin-2-one
CID 146770856
1,4,6-trimethyl-1,4-diazocane-5,8-dione
CID 118659197
2-[2-[[(4S)-1-methyl-2-oxopiperidine-4-carbonyl]amino]phenyl]acetic acid
CID 129467310
N-(9-ethylcarbazol-3-yl)-1-methyl-2-oxopiperidine-4-carboxamide
CID 71898551
1-methyl-N-(3-methylphenyl)sulfonyl-2-oxopiperidine-4-carboxamide
CID 146083778
N-(6-amino-1,3-benzodioxol-5-yl)-1-methyl-2-oxopiperidine-4-carboxamide
CID 119618709
1,6-dimethylazocane-2,5-dione
CID 24976921
1-methyl-7-oxoazepane-4-carbaldehyde
CID 144521999
N-(2,2-diphenylethyl)-1-methyl-2-oxopiperidine-4-carboxamide
CID 75460632

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropen-1-yl)-1-methylpiperidin-2-one?
The IUPAC name of 4-(cyclopropen-1-yl)-1-methylpiperidin-2-one (CID 123650509) is 4-(cyclopropen-1-yl)-1-methylpiperidin-2-one.
What is the SMILES notation for 4-(cyclopropen-1-yl)-1-methylpiperidin-2-one?
The canonical SMILES for 4-(cyclopropen-1-yl)-1-methylpiperidin-2-one is CN1CCC(C2=CC2)CC1=O.
What is the InChIKey of 4-(cyclopropen-1-yl)-1-methylpiperidin-2-one?
The InChIKey is UUPKGKFYTQZSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-10-5-4-8(6-9(10)11)7-2-3-7/h2,8H,3-6H2,1H3.
What are the key properties of 4-(cyclopropen-1-yl)-1-methylpiperidin-2-one?
4-(cyclopropen-1-yl)-1-methylpiperidin-2-one has a molecular weight of 151.21 g/mol, XLogP of 1.18, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropen-1-yl)-1-methylpiperidin-2-one is sourced from PubChem (CID 123650509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).