2-[(2R,5R)-2,5-dimethyl-2,5-dihydropyrrol-1-yl]prop-2-enamide

C9H14N2O — CID 70580703

IUPAC2-[(2R,5R)-2,5-dimethyl-2,5-dihydropyrrol-1-yl]prop-2-enamide
SMILESC=C(C(N)=O)N1[C@H](C)C=C[C@H]1C
InChIInChI=1S/C9H14N2O/c1-6-4-5-7(2)11(6)8(3)9(10)12/h4-7H,3H2,1-2H3,(H2,10,12)/t6-,7-/m1/s1
InChIKeyDNNJBBUKYBYURD-RNFRBKRXSA-N
MW166.22 g/mol
LogP0.63
Rot. Bonds2

About 2-[(2R,5R)-2,5-dimethyl-2,5-dihydropyrrol-1-yl]prop-2-enamide

2-[(2R,5R)-2,5-dimethyl-2,5-dihydropyrrol-1-yl]prop-2-enamide (PubChem CID 70580703) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 2-[(2R,5R)-2,5-dimethyl-2,5-dihydropyrrol-1-yl]prop-2-enamide.

Molecular Properties

Compound Name2-[(2R,5R)-2,5-dimethyl-2,5-dihydropyrrol-1-yl]prop-2-enamide
PubChem CID70580703
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name2-[(2R,5R)-2,5-dimethyl-2,5-dihydropyrrol-1-yl]prop-2-enamide
SMILESC=C(C(N)=O)N1[C@H](C)C=C[C@H]1C
InChIInChI=1S/C9H14N2O/c1-6-4-5-7(2)11(6)8(3)9(10)12/h4-7H,3H2,1-2H3,(H2,10,12)/t6-,7-/m1/s1
InChIKeyDNNJBBUKYBYURD-RNFRBKRXSA-N
XLogP0.63
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(2R,5R)-2,5-dimethyl-2,5-dihydropyrrol-1-yl]prop-2-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 2-[(2R,5R)-2,5-dimethyl-2,5-dihydropyrrol-1-yl]prop-2-enamide?
The IUPAC name of 2-[(2R,5R)-2,5-dimethyl-2,5-dihydropyrrol-1-yl]prop-2-enamide (CID 70580703) is 2-[(2R,5R)-2,5-dimethyl-2,5-dihydropyrrol-1-yl]prop-2-enamide.
What is the SMILES notation for 2-[(2R,5R)-2,5-dimethyl-2,5-dihydropyrrol-1-yl]prop-2-enamide?
The canonical SMILES for 2-[(2R,5R)-2,5-dimethyl-2,5-dihydropyrrol-1-yl]prop-2-enamide is C=C(C(N)=O)N1[C@H](C)C=C[C@H]1C.
What is the InChIKey of 2-[(2R,5R)-2,5-dimethyl-2,5-dihydropyrrol-1-yl]prop-2-enamide?
The InChIKey is DNNJBBUKYBYURD-RNFRBKRXSA-N. The full InChI is InChI=1S/C9H14N2O/c1-6-4-5-7(2)11(6)8(3)9(10)12/h4-7H,3H2,1-2H3,(H2,10,12)/t6-,7-/m1/s1.
What are the key properties of 2-[(2R,5R)-2,5-dimethyl-2,5-dihydropyrrol-1-yl]prop-2-enamide?
2-[(2R,5R)-2,5-dimethyl-2,5-dihydropyrrol-1-yl]prop-2-enamide has a molecular weight of 166.22 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,5R)-2,5-dimethyl-2,5-dihydropyrrol-1-yl]prop-2-enamide is sourced from PubChem (CID 70580703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).