1-cyano-N-methyl-N-propylcyclopropane-1-carboxamide

C9H14N2O — CID 80598123

IUPAC1-cyano-N-methyl-N-propylcyclopropane-1-carboxamide
SMILESCCCN(C)C(=O)C1(C#N)CC1
InChIInChI=1S/C9H14N2O/c1-3-6-11(2)8(12)9(7-10)4-5-9/h3-6H2,1-2H3
InChIKeyMETCIFUMMGKREC-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.16
Rot. Bonds3

About 1-cyano-N-methyl-N-propylcyclopropane-1-carboxamide

1-cyano-N-methyl-N-propylcyclopropane-1-carboxamide (PubChem CID 80598123) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 1-cyano-N-methyl-N-propylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-methyl-N-propylcyclopropane-1-carboxamide
PubChem CID80598123
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name1-cyano-N-methyl-N-propylcyclopropane-1-carboxamide
SMILESCCCN(C)C(=O)C1(C#N)CC1
InChIInChI=1S/C9H14N2O/c1-3-6-11(2)8(12)9(7-10)4-5-9/h3-6H2,1-2H3
InChIKeyMETCIFUMMGKREC-UHFFFAOYSA-N
XLogP1.16
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-methyl-N-propylcyclopropane-1-carboxamide?
The IUPAC name of 1-cyano-N-methyl-N-propylcyclopropane-1-carboxamide (CID 80598123) is 1-cyano-N-methyl-N-propylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-methyl-N-propylcyclopropane-1-carboxamide?
The canonical SMILES for 1-cyano-N-methyl-N-propylcyclopropane-1-carboxamide is CCCN(C)C(=O)C1(C#N)CC1.
What is the InChIKey of 1-cyano-N-methyl-N-propylcyclopropane-1-carboxamide?
The InChIKey is METCIFUMMGKREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-3-6-11(2)8(12)9(7-10)4-5-9/h3-6H2,1-2H3.
What are the key properties of 1-cyano-N-methyl-N-propylcyclopropane-1-carboxamide?
1-cyano-N-methyl-N-propylcyclopropane-1-carboxamide has a molecular weight of 166.22 g/mol, XLogP of 1.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-methyl-N-propylcyclopropane-1-carboxamide is sourced from PubChem (CID 80598123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).