(2R)-N-carbamoyl-2-propan-2-ylpent-4-enamide

C9H16N2O2 — CID 76961141

IUPAC(2R)-N-carbamoyl-2-propan-2-ylpent-4-enamide
SMILESC=CC[C@@H](C(=O)NC(N)=O)C(C)C
InChIInChI=1S/C9H16N2O2/c1-4-5-7(6(2)3)8(12)11-9(10)13/h4,6-7H,1,5H2,2-3H3,(H3,10,11,12,13)/t7-/m1/s1
InChIKeyKSUUMAWCGDNLFK-SSDOTTSWSA-N
MW184.24 g/mol
LogP1.03
Rot. Bonds4

About (2R)-N-carbamoyl-2-propan-2-ylpent-4-enamide

(2R)-N-carbamoyl-2-propan-2-ylpent-4-enamide (PubChem CID 76961141) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is (2R)-N-carbamoyl-2-propan-2-ylpent-4-enamide.

Molecular Properties

Compound Name(2R)-N-carbamoyl-2-propan-2-ylpent-4-enamide
PubChem CID76961141
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name(2R)-N-carbamoyl-2-propan-2-ylpent-4-enamide
SMILESC=CC[C@@H](C(=O)NC(N)=O)C(C)C
InChIInChI=1S/C9H16N2O2/c1-4-5-7(6(2)3)8(12)11-9(10)13/h4,6-7H,1,5H2,2-3H3,(H3,10,11,12,13)/t7-/m1/s1
InChIKeyKSUUMAWCGDNLFK-SSDOTTSWSA-N
XLogP1.03
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2R)-N-carbamoyl-2-propan-2-ylpent-4-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-N-carbamoyl-2-propan-2-ylpent-4-enamide?
The IUPAC name of (2R)-N-carbamoyl-2-propan-2-ylpent-4-enamide (CID 76961141) is (2R)-N-carbamoyl-2-propan-2-ylpent-4-enamide.
What is the SMILES notation for (2R)-N-carbamoyl-2-propan-2-ylpent-4-enamide?
The canonical SMILES for (2R)-N-carbamoyl-2-propan-2-ylpent-4-enamide is C=CC[C@@H](C(=O)NC(N)=O)C(C)C.
What is the InChIKey of (2R)-N-carbamoyl-2-propan-2-ylpent-4-enamide?
The InChIKey is KSUUMAWCGDNLFK-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-4-5-7(6(2)3)8(12)11-9(10)13/h4,6-7H,1,5H2,2-3H3,(H3,10,11,12,13)/t7-/m1/s1.
What are the key properties of (2R)-N-carbamoyl-2-propan-2-ylpent-4-enamide?
(2R)-N-carbamoyl-2-propan-2-ylpent-4-enamide has a molecular weight of 184.24 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-carbamoyl-2-propan-2-ylpent-4-enamide is sourced from PubChem (CID 76961141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).