1-[4-methyl-1-(methylamino)-1-oxopent-4-en-2-yl]cyclopentane-1-carboxamide

C13H22N2O2 — CID 142099887

IUPAC1-[4-methyl-1-(methylamino)-1-oxopent-4-en-2-yl]cyclopentane-1-carboxamide
SMILESC=C(C)CC(C(=O)NC)C1(C(N)=O)CCCC1
InChIInChI=1S/C13H22N2O2/c1-9(2)8-10(11(16)15-3)13(12(14)17)6-4-5-7-13/h10H,1,4-8H2,2-3H3,(H2,14,17)(H,15,16)
InChIKeyQPBAKLVSMCEVDO-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.36
Rot. Bonds5

About 1-[4-methyl-1-(methylamino)-1-oxopent-4-en-2-yl]cyclopentane-1-carboxamide

1-[4-methyl-1-(methylamino)-1-oxopent-4-en-2-yl]cyclopentane-1-carboxamide (PubChem CID 142099887) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-[4-methyl-1-(methylamino)-1-oxopent-4-en-2-yl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-[4-methyl-1-(methylamino)-1-oxopent-4-en-2-yl]cyclopentane-1-carboxamide
PubChem CID142099887
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name1-[4-methyl-1-(methylamino)-1-oxopent-4-en-2-yl]cyclopentane-1-carboxamide
SMILESC=C(C)CC(C(=O)NC)C1(C(N)=O)CCCC1
InChIInChI=1S/C13H22N2O2/c1-9(2)8-10(11(16)15-3)13(12(14)17)6-4-5-7-13/h10H,1,4-8H2,2-3H3,(H2,14,17)(H,15,16)
InChIKeyQPBAKLVSMCEVDO-UHFFFAOYSA-N
XLogP1.36
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(2R)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]cyclohexane-1-carboxamide
CID 142099877
1-[(2R)-4,4-dimethyl-1-(methylamino)-1-oxopentan-2-yl]cyclohexane-1-carboxamide
CID 142099817
N',2-dimethyl-3-(2-methylprop-2-enyl)butanediamide
CID 142005655
1-[(2R)-1-(tert-butylamino)-3-cyclopropyl-1-oxopropan-2-yl]cyclopentane-1-carboxamide
CID 59033290
(2S)-2-butyl-N'-methyl-3-(2-methylprop-2-enyl)butanediamide
CID 154531690
N,4-dimethyl-2-prop-2-enylpent-4-enamide
CID 89102883
1-[3-cyclopropyl-1-(ethylamino)-1-oxopropan-2-yl]cyclobutane-1-carboxamide
CID 71050551
1-[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]cyclopentane-1-carboxamide
CID 71026868
1-[1-(ethylamino)-3-methyl-1-oxobut-3-en-2-yl]cyclopropane-1-carboxamide
CID 89200903
1-[(2R)-1-(tert-butylamino)-3-cyclopentyl-1-oxopropan-2-yl]cyclohexane-1-carboxamide
CID 59033305
potassium;hydride;1-propan-2-ylcyclohexane-1-carboxamide
CID 173332130
1-[1-(tert-butylamino)-3-cyclobutyl-1-oxopropan-2-yl]cyclobutane-1-carboxamide
CID 23555109

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-1-(methylamino)-1-oxopent-4-en-2-yl]cyclopentane-1-carboxamide?
The IUPAC name of 1-[4-methyl-1-(methylamino)-1-oxopent-4-en-2-yl]cyclopentane-1-carboxamide (CID 142099887) is 1-[4-methyl-1-(methylamino)-1-oxopent-4-en-2-yl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-[4-methyl-1-(methylamino)-1-oxopent-4-en-2-yl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-[4-methyl-1-(methylamino)-1-oxopent-4-en-2-yl]cyclopentane-1-carboxamide is C=C(C)CC(C(=O)NC)C1(C(N)=O)CCCC1.
What is the InChIKey of 1-[4-methyl-1-(methylamino)-1-oxopent-4-en-2-yl]cyclopentane-1-carboxamide?
The InChIKey is QPBAKLVSMCEVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-9(2)8-10(11(16)15-3)13(12(14)17)6-4-5-7-13/h10H,1,4-8H2,2-3H3,(H2,14,17)(H,15,16).
What are the key properties of 1-[4-methyl-1-(methylamino)-1-oxopent-4-en-2-yl]cyclopentane-1-carboxamide?
1-[4-methyl-1-(methylamino)-1-oxopent-4-en-2-yl]cyclopentane-1-carboxamide has a molecular weight of 238.33 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-1-(methylamino)-1-oxopent-4-en-2-yl]cyclopentane-1-carboxamide is sourced from PubChem (CID 142099887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).