N-methylazetidine-3-carboxamide

C5H10N2O — CID 59597796

IUPACN-methylazetidine-3-carboxamide
SMILESCNC(=O)C1CNC1
InChIInChI=1S/C5H10N2O/c1-6-5(8)4-2-7-3-4/h4,7H,2-3H2,1H3,(H,6,8)
InChIKeyFGXXCOXDQDQWHX-UHFFFAOYSA-N
MW114.15 g/mol
LogP-1.05
Rot. Bonds1

About N-methylazetidine-3-carboxamide

N-methylazetidine-3-carboxamide (PubChem CID 59597796) has the molecular formula C5H10N2O and a molecular weight of 114.15 g/mol. Its IUPAC name is N-methylazetidine-3-carboxamide.

Molecular Properties

Compound NameN-methylazetidine-3-carboxamide
PubChem CID59597796
Molecular FormulaC5H10N2O
Molecular Weight114.15 g/mol
Exact Mass114.08
IUPAC NameN-methylazetidine-3-carboxamide
SMILESCNC(=O)C1CNC1
InChIInChI=1S/C5H10N2O/c1-6-5(8)4-2-7-3-4/h4,7H,2-3H2,1H3,(H,6,8)
InChIKeyFGXXCOXDQDQWHX-UHFFFAOYSA-N
XLogP-1.05
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.15
LogP ≤ 5-1.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methylazetidine-3-carboxamide?
The IUPAC name of N-methylazetidine-3-carboxamide (CID 59597796) is N-methylazetidine-3-carboxamide.
What is the SMILES notation for N-methylazetidine-3-carboxamide?
The canonical SMILES for N-methylazetidine-3-carboxamide is CNC(=O)C1CNC1.
What is the InChIKey of N-methylazetidine-3-carboxamide?
The InChIKey is FGXXCOXDQDQWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O/c1-6-5(8)4-2-7-3-4/h4,7H,2-3H2,1H3,(H,6,8).
What are the key properties of N-methylazetidine-3-carboxamide?
N-methylazetidine-3-carboxamide has a molecular weight of 114.15 g/mol, XLogP of -1.05, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylazetidine-3-carboxamide is sourced from PubChem (CID 59597796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).