N-[(3R,4R)-4-amino-1-methylpyrrolidin-3-yl]prop-2-enamide

C8H15N3O — CID 118597405

IUPACN-[(3R,4R)-4-amino-1-methylpyrrolidin-3-yl]prop-2-enamide
SMILESC=CC(=O)N[C@@H]1CN(C)C[C@H]1N
InChIInChI=1S/C8H15N3O/c1-3-8(12)10-7-5-11(2)4-6(7)9/h3,6-7H,1,4-5,9H2,2H3,(H,10,12)/t6-,7-/m1/s1
InChIKeyVPRYDNXGUUIKKY-RNFRBKRXSA-N
MW169.23 g/mol
LogP-1.07
Rot. Bonds2

About N-[(3R,4R)-4-amino-1-methylpyrrolidin-3-yl]prop-2-enamide

N-[(3R,4R)-4-amino-1-methylpyrrolidin-3-yl]prop-2-enamide (PubChem CID 118597405) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is N-[(3R,4R)-4-amino-1-methylpyrrolidin-3-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[(3R,4R)-4-amino-1-methylpyrrolidin-3-yl]prop-2-enamide
PubChem CID118597405
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC NameN-[(3R,4R)-4-amino-1-methylpyrrolidin-3-yl]prop-2-enamide
SMILESC=CC(=O)N[C@@H]1CN(C)C[C@H]1N
InChIInChI=1S/C8H15N3O/c1-3-8(12)10-7-5-11(2)4-6(7)9/h3,6-7H,1,4-5,9H2,2H3,(H,10,12)/t6-,7-/m1/s1
InChIKeyVPRYDNXGUUIKKY-RNFRBKRXSA-N
XLogP-1.07
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 5-1.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(3R,4R)-4-amino-1-methylpyrrolidin-3-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 N-[(3R,4R)-4-amino-1-methylpyrrolidin-3-yl]prop-2-enamide?
The IUPAC name of N-[(3R,4R)-4-amino-1-methylpyrrolidin-3-yl]prop-2-enamide (CID 118597405) is N-[(3R,4R)-4-amino-1-methylpyrrolidin-3-yl]prop-2-enamide.
What is the SMILES notation for N-[(3R,4R)-4-amino-1-methylpyrrolidin-3-yl]prop-2-enamide?
The canonical SMILES for N-[(3R,4R)-4-amino-1-methylpyrrolidin-3-yl]prop-2-enamide is C=CC(=O)N[C@@H]1CN(C)C[C@H]1N.
What is the InChIKey of N-[(3R,4R)-4-amino-1-methylpyrrolidin-3-yl]prop-2-enamide?
The InChIKey is VPRYDNXGUUIKKY-RNFRBKRXSA-N. The full InChI is InChI=1S/C8H15N3O/c1-3-8(12)10-7-5-11(2)4-6(7)9/h3,6-7H,1,4-5,9H2,2H3,(H,10,12)/t6-,7-/m1/s1.
What are the key properties of N-[(3R,4R)-4-amino-1-methylpyrrolidin-3-yl]prop-2-enamide?
N-[(3R,4R)-4-amino-1-methylpyrrolidin-3-yl]prop-2-enamide has a molecular weight of 169.23 g/mol, XLogP of -1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-4-amino-1-methylpyrrolidin-3-yl]prop-2-enamide is sourced from PubChem (CID 118597405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).