3-methylpyrrolidine-3-carboxamide

C6H12N2O — CID 63138518

IUPAC3-methylpyrrolidine-3-carboxamide
SMILESCC1(C(N)=O)CCNC1
InChIInChI=1S/C6H12N2O/c1-6(5(7)9)2-3-8-4-6/h8H,2-4H2,1H3,(H2,7,9)
InChIKeyCIIKWJNFAZBRBN-UHFFFAOYSA-N
MW128.18 g/mol
LogP-0.53
Rot. Bonds1

About 3-methylpyrrolidine-3-carboxamide

3-methylpyrrolidine-3-carboxamide (PubChem CID 63138518) has the molecular formula C6H12N2O and a molecular weight of 128.18 g/mol. Its IUPAC name is 3-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-methylpyrrolidine-3-carboxamide
PubChem CID63138518
Molecular FormulaC6H12N2O
Molecular Weight128.18 g/mol
Exact Mass128.09
IUPAC Name3-methylpyrrolidine-3-carboxamide
SMILESCC1(C(N)=O)CCNC1
InChIInChI=1S/C6H12N2O/c1-6(5(7)9)2-3-8-4-6/h8H,2-4H2,1H3,(H2,7,9)
InChIKeyCIIKWJNFAZBRBN-UHFFFAOYSA-N
XLogP-0.53
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.18
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methylpyrrolidine-3-carboxamide?
The IUPAC name of 3-methylpyrrolidine-3-carboxamide (CID 63138518) is 3-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for 3-methylpyrrolidine-3-carboxamide?
The canonical SMILES for 3-methylpyrrolidine-3-carboxamide is CC1(C(N)=O)CCNC1.
What is the InChIKey of 3-methylpyrrolidine-3-carboxamide?
The InChIKey is CIIKWJNFAZBRBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-6(5(7)9)2-3-8-4-6/h8H,2-4H2,1H3,(H2,7,9).
What are the key properties of 3-methylpyrrolidine-3-carboxamide?
3-methylpyrrolidine-3-carboxamide has a molecular weight of 128.18 g/mol, XLogP of -0.53, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 63138518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).