N,N-dimethyl-3-(prop-2-enoylamino)cyclopentane-1-carboxamide

C11H18N2O2 — CID 123174052

IUPACN,N-dimethyl-3-(prop-2-enoylamino)cyclopentane-1-carboxamide
SMILESC=CC(=O)NC1CCC(C(=O)N(C)C)C1
InChIInChI=1S/C11H18N2O2/c1-4-10(14)12-9-6-5-8(7-9)11(15)13(2)3/h4,8-9H,1,5-7H2,2-3H3,(H,12,14)
InChIKeyFZTQTBOUMYZJFM-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.55
Rot. Bonds3

About N,N-dimethyl-3-(prop-2-enoylamino)cyclopentane-1-carboxamide

N,N-dimethyl-3-(prop-2-enoylamino)cyclopentane-1-carboxamide (PubChem CID 123174052) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is N,N-dimethyl-3-(prop-2-enoylamino)cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-3-(prop-2-enoylamino)cyclopentane-1-carboxamide
PubChem CID123174052
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC NameN,N-dimethyl-3-(prop-2-enoylamino)cyclopentane-1-carboxamide
SMILESC=CC(=O)NC1CCC(C(=O)N(C)C)C1
InChIInChI=1S/C11H18N2O2/c1-4-10(14)12-9-6-5-8(7-9)11(15)13(2)3/h4,8-9H,1,5-7H2,2-3H3,(H,12,14)
InChIKeyFZTQTBOUMYZJFM-UHFFFAOYSA-N
XLogP0.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide
CID 119748902
2-ethyl-4-(2-oxopyrrolidin-1-yl)-N-prop-2-enylpentanamide
CID 57954022
4-(2,5-dioxopyrrol-1-yl)-N-methylcyclohexane-1-carboxamide
CID 58481294
trans-(1R,3R)-3-(6-aminohexanoylamino)-N-(2-methylpropyl)cyclopentane-1-carboxamide
CID 58615956
cis-(1S,3R)-3-(6-aminohexanoylamino)-N-(2-methylpropyl)cyclopentane-1-carboxamide
CID 58615977
cis-(1R,3S)-3-(6-aminohexanoylamino)-N-(2-methylpropyl)cyclopentane-1-carboxamide
CID 69644949
(1R,3R,4S)-N,N,3-trimethyl-4-(prop-2-enoylamino)cyclopentane-1-carboxamide
CID 118043458
cis-(1S,3R)-3-amino-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]cyclopentane-1-carboxamide
CID 121428665
trans-(1R,3R)-3-amino-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]cyclopentane-1-carboxamide
CID 121428666
cis-(1R,3S)-3-amino-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]cyclopentane-1-carboxamide
CID 121428725
trans-(1S,3S)-3-amino-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]cyclopentane-1-carboxamide
CID 121428760
cis-(1R,3S)-N-methyl-3-(propanoylamino)cyclopentane-1-carboxamide
CID 129179857

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(prop-2-enoylamino)cyclopentane-1-carboxamide?
The IUPAC name of N,N-dimethyl-3-(prop-2-enoylamino)cyclopentane-1-carboxamide (CID 123174052) is N,N-dimethyl-3-(prop-2-enoylamino)cyclopentane-1-carboxamide.
What is the SMILES notation for N,N-dimethyl-3-(prop-2-enoylamino)cyclopentane-1-carboxamide?
The canonical SMILES for N,N-dimethyl-3-(prop-2-enoylamino)cyclopentane-1-carboxamide is C=CC(=O)NC1CCC(C(=O)N(C)C)C1.
What is the InChIKey of N,N-dimethyl-3-(prop-2-enoylamino)cyclopentane-1-carboxamide?
The InChIKey is FZTQTBOUMYZJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-4-10(14)12-9-6-5-8(7-9)11(15)13(2)3/h4,8-9H,1,5-7H2,2-3H3,(H,12,14).
What are the key properties of N,N-dimethyl-3-(prop-2-enoylamino)cyclopentane-1-carboxamide?
N,N-dimethyl-3-(prop-2-enoylamino)cyclopentane-1-carboxamide has a molecular weight of 210.28 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(prop-2-enoylamino)cyclopentane-1-carboxamide is sourced from PubChem (CID 123174052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).