1-cyano-3-methyl-N-prop-2-enylcyclobutane-1-carboxamide

C10H14N2O — CID 80501050

IUPAC1-cyano-3-methyl-N-prop-2-enylcyclobutane-1-carboxamide
SMILESC=CCNC(=O)C1(C#N)CC(C)C1
InChIInChI=1S/C10H14N2O/c1-3-4-12-9(13)10(7-11)5-8(2)6-10/h3,8H,1,4-6H2,2H3,(H,12,13)
InChIKeyZGHROGOJYURXPH-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.23
Rot. Bonds3

About 1-cyano-3-methyl-N-prop-2-enylcyclobutane-1-carboxamide

1-cyano-3-methyl-N-prop-2-enylcyclobutane-1-carboxamide (PubChem CID 80501050) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is 1-cyano-3-methyl-N-prop-2-enylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-3-methyl-N-prop-2-enylcyclobutane-1-carboxamide
PubChem CID80501050
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name1-cyano-3-methyl-N-prop-2-enylcyclobutane-1-carboxamide
SMILESC=CCNC(=O)C1(C#N)CC(C)C1
InChIInChI=1S/C10H14N2O/c1-3-4-12-9(13)10(7-11)5-8(2)6-10/h3,8H,1,4-6H2,2H3,(H,12,13)
InChIKeyZGHROGOJYURXPH-UHFFFAOYSA-N
XLogP1.23
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 1-cyano-3-methyl-N-prop-2-enylcyclobutane-1-carboxamide?
The IUPAC name of 1-cyano-3-methyl-N-prop-2-enylcyclobutane-1-carboxamide (CID 80501050) is 1-cyano-3-methyl-N-prop-2-enylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-cyano-3-methyl-N-prop-2-enylcyclobutane-1-carboxamide?
The canonical SMILES for 1-cyano-3-methyl-N-prop-2-enylcyclobutane-1-carboxamide is C=CCNC(=O)C1(C#N)CC(C)C1.
What is the InChIKey of 1-cyano-3-methyl-N-prop-2-enylcyclobutane-1-carboxamide?
The InChIKey is ZGHROGOJYURXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-3-4-12-9(13)10(7-11)5-8(2)6-10/h3,8H,1,4-6H2,2H3,(H,12,13).
What are the key properties of 1-cyano-3-methyl-N-prop-2-enylcyclobutane-1-carboxamide?
1-cyano-3-methyl-N-prop-2-enylcyclobutane-1-carboxamide has a molecular weight of 178.23 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-3-methyl-N-prop-2-enylcyclobutane-1-carboxamide is sourced from PubChem (CID 80501050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).