3-(cyanomethyl)-N-methylazetidine-1-carboxamide

C7H11N3O — CID 118907001

IUPAC3-(cyanomethyl)-N-methylazetidine-1-carboxamide
SMILESCNC(=O)N1CC(CC#N)C1
InChIInChI=1S/C7H11N3O/c1-9-7(11)10-4-6(5-10)2-3-8/h6H,2,4-5H2,1H3,(H,9,11)
InChIKeyYAHHTKNOTPTNRU-UHFFFAOYSA-N
MW153.19 g/mol
LogP0.17
Rot. Bonds1

About 3-(cyanomethyl)-N-methylazetidine-1-carboxamide

3-(cyanomethyl)-N-methylazetidine-1-carboxamide (PubChem CID 118907001) has the molecular formula C7H11N3O and a molecular weight of 153.19 g/mol. Its IUPAC name is 3-(cyanomethyl)-N-methylazetidine-1-carboxamide.

Molecular Properties

Compound Name3-(cyanomethyl)-N-methylazetidine-1-carboxamide
PubChem CID118907001
Molecular FormulaC7H11N3O
Molecular Weight153.19 g/mol
Exact Mass153.09
IUPAC Name3-(cyanomethyl)-N-methylazetidine-1-carboxamide
SMILESCNC(=O)N1CC(CC#N)C1
InChIInChI=1S/C7H11N3O/c1-9-7(11)10-4-6(5-10)2-3-8/h6H,2,4-5H2,1H3,(H,9,11)
InChIKeyYAHHTKNOTPTNRU-UHFFFAOYSA-N
XLogP0.17
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(cyanomethyl)-N-methylazetidine-1-carboxamide?
The IUPAC name of 3-(cyanomethyl)-N-methylazetidine-1-carboxamide (CID 118907001) is 3-(cyanomethyl)-N-methylazetidine-1-carboxamide.
What is the SMILES notation for 3-(cyanomethyl)-N-methylazetidine-1-carboxamide?
The canonical SMILES for 3-(cyanomethyl)-N-methylazetidine-1-carboxamide is CNC(=O)N1CC(CC#N)C1.
What is the InChIKey of 3-(cyanomethyl)-N-methylazetidine-1-carboxamide?
The InChIKey is YAHHTKNOTPTNRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-9-7(11)10-4-6(5-10)2-3-8/h6H,2,4-5H2,1H3,(H,9,11).
What are the key properties of 3-(cyanomethyl)-N-methylazetidine-1-carboxamide?
3-(cyanomethyl)-N-methylazetidine-1-carboxamide has a molecular weight of 153.19 g/mol, XLogP of 0.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyanomethyl)-N-methylazetidine-1-carboxamide is sourced from PubChem (CID 118907001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).