N-methyl-2-oxo-N-penta-3,4-dienylcyclopentane-1-carboxamide

C12H17NO2 — CID 46933723

IUPACN-methyl-2-oxo-N-penta-3,4-dienylcyclopentane-1-carboxamide
SMILESC=C=CCCN(C)C(=O)C1CCCC1=O
InChIInChI=1S/C12H17NO2/c1-3-4-5-9-13(2)12(15)10-7-6-8-11(10)14/h4,10H,1,5-9H2,2H3
InChIKeyNRUMRCDHROBFLU-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.55
Rot. Bonds4

About N-methyl-2-oxo-N-penta-3,4-dienylcyclopentane-1-carboxamide

N-methyl-2-oxo-N-penta-3,4-dienylcyclopentane-1-carboxamide (PubChem CID 46933723) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is N-methyl-2-oxo-N-penta-3,4-dienylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-methyl-2-oxo-N-penta-3,4-dienylcyclopentane-1-carboxamide
PubChem CID46933723
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC NameN-methyl-2-oxo-N-penta-3,4-dienylcyclopentane-1-carboxamide
SMILESC=C=CCCN(C)C(=O)C1CCCC1=O
InChIInChI=1S/C12H17NO2/c1-3-4-5-9-13(2)12(15)10-7-6-8-11(10)14/h4,10H,1,5-9H2,2H3
InChIKeyNRUMRCDHROBFLU-UHFFFAOYSA-N
XLogP1.55
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-2-oxocyclopentane-1-carboxamide
CID 135145241
2-oxo-N,N-bis(prop-2-enyl)cyclopentane-1-carboxamide
CID 13900860
4,4-dimethyl-2-oxo-N,N-bis(prop-2-enyl)cyclopentane-1-carboxamide
CID 13900861
N,N-diethyl-2-oxo-1-prop-2-enylcyclopentane-1-carboxamide
CID 101439008
(1R)-1-acetyl-N,N-diethyl-2-methylidenecyclopentane-1-carboxamide
CID 135067347
N-methyl-N-(2-methylallyl)-2-oxocyclopentane-1-carboxamide
CID 145707125
2-acetyl-N,N-diethyl-2-methylhex-5-enamide
CID 164665712
N-but-3-enyl-N,4,4-trimethyl-2-oxocyclopentane-1-carboxamide
CID 10513285
N-but-3-enyl-N-methyl-2-oxocyclohexane-1-carboxamide
CID 10656018
N-methyl-2-oxo-N-prop-2-enylcyclopentane-1-carboxamide
CID 10954142
2-oxo-N,N-di(propan-2-yl)cyclopentane-1-carboxamide
CID 85914636
N,N-dibutyl-2-oxocyclopentane-1-carboxamide
CID 85948828

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-oxo-N-penta-3,4-dienylcyclopentane-1-carboxamide?
The IUPAC name of N-methyl-2-oxo-N-penta-3,4-dienylcyclopentane-1-carboxamide (CID 46933723) is N-methyl-2-oxo-N-penta-3,4-dienylcyclopentane-1-carboxamide.
What is the SMILES notation for N-methyl-2-oxo-N-penta-3,4-dienylcyclopentane-1-carboxamide?
The canonical SMILES for N-methyl-2-oxo-N-penta-3,4-dienylcyclopentane-1-carboxamide is C=C=CCCN(C)C(=O)C1CCCC1=O.
What is the InChIKey of N-methyl-2-oxo-N-penta-3,4-dienylcyclopentane-1-carboxamide?
The InChIKey is NRUMRCDHROBFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-3-4-5-9-13(2)12(15)10-7-6-8-11(10)14/h4,10H,1,5-9H2,2H3.
What are the key properties of N-methyl-2-oxo-N-penta-3,4-dienylcyclopentane-1-carboxamide?
N-methyl-2-oxo-N-penta-3,4-dienylcyclopentane-1-carboxamide has a molecular weight of 207.27 g/mol, XLogP of 1.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-oxo-N-penta-3,4-dienylcyclopentane-1-carboxamide is sourced from PubChem (CID 46933723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).