N-methyl-2-[(E)-prop-1-enyl]pyrrolidine-1-carboxamide

C9H16N2O — CID 14242465

IUPACN-methyl-2-[(E)-prop-1-enyl]pyrrolidine-1-carboxamide
SMILESC/C=C/C1CCCN1C(=O)NC
InChIInChI=1S/C9H16N2O/c1-3-5-8-6-4-7-11(8)9(12)10-2/h3,5,8H,4,6-7H2,1-2H3,(H,10,12)/b5-3+
InChIKeyBZBCCVKQXPDTGE-HWKANZROSA-N
MW168.24 g/mol
LogP1.37
Rot. Bonds1

About N-methyl-2-[(E)-prop-1-enyl]pyrrolidine-1-carboxamide

N-methyl-2-[(E)-prop-1-enyl]pyrrolidine-1-carboxamide (PubChem CID 14242465) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is N-methyl-2-[(E)-prop-1-enyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-methyl-2-[(E)-prop-1-enyl]pyrrolidine-1-carboxamide
PubChem CID14242465
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC NameN-methyl-2-[(E)-prop-1-enyl]pyrrolidine-1-carboxamide
SMILESC/C=C/C1CCCN1C(=O)NC
InChIInChI=1S/C9H16N2O/c1-3-5-8-6-4-7-11(8)9(12)10-2/h3,5,8H,4,6-7H2,1-2H3,(H,10,12)/b5-3+
InChIKeyBZBCCVKQXPDTGE-HWKANZROSA-N
XLogP1.37
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 N-methyl-2-[(E)-prop-1-enyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-methyl-2-[(E)-prop-1-enyl]pyrrolidine-1-carboxamide (CID 14242465) is N-methyl-2-[(E)-prop-1-enyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-methyl-2-[(E)-prop-1-enyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-methyl-2-[(E)-prop-1-enyl]pyrrolidine-1-carboxamide is C/C=C/C1CCCN1C(=O)NC.
What is the InChIKey of N-methyl-2-[(E)-prop-1-enyl]pyrrolidine-1-carboxamide?
The InChIKey is BZBCCVKQXPDTGE-HWKANZROSA-N. The full InChI is InChI=1S/C9H16N2O/c1-3-5-8-6-4-7-11(8)9(12)10-2/h3,5,8H,4,6-7H2,1-2H3,(H,10,12)/b5-3+.
What are the key properties of N-methyl-2-[(E)-prop-1-enyl]pyrrolidine-1-carboxamide?
N-methyl-2-[(E)-prop-1-enyl]pyrrolidine-1-carboxamide has a molecular weight of 168.24 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(E)-prop-1-enyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 14242465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).