3-(cyclopent-3-en-1-ylamino)-N,N-dimethylbutanamide

C11H20N2O — CID 115728485

IUPAC3-(cyclopent-3-en-1-ylamino)-N,N-dimethylbutanamide
SMILESCC(CC(=O)N(C)C)NC1CC=CC1
InChIInChI=1S/C11H20N2O/c1-9(8-11(14)13(2)3)12-10-6-4-5-7-10/h4-5,9-10,12H,6-8H2,1-3H3
InChIKeyORGKGXKSQQETCB-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.16
Rot. Bonds4

About 3-(cyclopent-3-en-1-ylamino)-N,N-dimethylbutanamide

3-(cyclopent-3-en-1-ylamino)-N,N-dimethylbutanamide (PubChem CID 115728485) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 3-(cyclopent-3-en-1-ylamino)-N,N-dimethylbutanamide.

Molecular Properties

Compound Name3-(cyclopent-3-en-1-ylamino)-N,N-dimethylbutanamide
PubChem CID115728485
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name3-(cyclopent-3-en-1-ylamino)-N,N-dimethylbutanamide
SMILESCC(CC(=O)N(C)C)NC1CC=CC1
InChIInChI=1S/C11H20N2O/c1-9(8-11(14)13(2)3)12-10-6-4-5-7-10/h4-5,9-10,12H,6-8H2,1-3H3
InChIKeyORGKGXKSQQETCB-UHFFFAOYSA-N
XLogP1.16
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopent-3-en-1-ylamino)-N,N-dimethylbutanamide?
The IUPAC name of 3-(cyclopent-3-en-1-ylamino)-N,N-dimethylbutanamide (CID 115728485) is 3-(cyclopent-3-en-1-ylamino)-N,N-dimethylbutanamide.
What is the SMILES notation for 3-(cyclopent-3-en-1-ylamino)-N,N-dimethylbutanamide?
The canonical SMILES for 3-(cyclopent-3-en-1-ylamino)-N,N-dimethylbutanamide is CC(CC(=O)N(C)C)NC1CC=CC1.
What is the InChIKey of 3-(cyclopent-3-en-1-ylamino)-N,N-dimethylbutanamide?
The InChIKey is ORGKGXKSQQETCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-9(8-11(14)13(2)3)12-10-6-4-5-7-10/h4-5,9-10,12H,6-8H2,1-3H3.
What are the key properties of 3-(cyclopent-3-en-1-ylamino)-N,N-dimethylbutanamide?
3-(cyclopent-3-en-1-ylamino)-N,N-dimethylbutanamide has a molecular weight of 196.29 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopent-3-en-1-ylamino)-N,N-dimethylbutanamide is sourced from PubChem (CID 115728485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).