N-butan-2-yl-1-cyano-N-propylcyclopropane-1-carboxamide

C12H20N2O — CID 177202785

IUPACN-butan-2-yl-1-cyano-N-propylcyclopropane-1-carboxamide
SMILESCCCN(C(=O)C1(C#N)CC1)C(C)CC
InChIInChI=1S/C12H20N2O/c1-4-8-14(10(3)5-2)11(15)12(9-13)6-7-12/h10H,4-8H2,1-3H3
InChIKeySAEXIXOOROOSPS-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.33
Rot. Bonds5

About N-butan-2-yl-1-cyano-N-propylcyclopropane-1-carboxamide

N-butan-2-yl-1-cyano-N-propylcyclopropane-1-carboxamide (PubChem CID 177202785) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is N-butan-2-yl-1-cyano-N-propylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-1-cyano-N-propylcyclopropane-1-carboxamide
PubChem CID177202785
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC NameN-butan-2-yl-1-cyano-N-propylcyclopropane-1-carboxamide
SMILESCCCN(C(=O)C1(C#N)CC1)C(C)CC
InChIInChI=1S/C12H20N2O/c1-4-8-14(10(3)5-2)11(15)12(9-13)6-7-12/h10H,4-8H2,1-3H3
InChIKeySAEXIXOOROOSPS-UHFFFAOYSA-N
XLogP2.33
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-butan-2-yl-1-cyano-N-propylcyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-1-cyano-N-propylcyclopropane-1-carboxamide?
The IUPAC name of N-butan-2-yl-1-cyano-N-propylcyclopropane-1-carboxamide (CID 177202785) is N-butan-2-yl-1-cyano-N-propylcyclopropane-1-carboxamide.
What is the SMILES notation for N-butan-2-yl-1-cyano-N-propylcyclopropane-1-carboxamide?
The canonical SMILES for N-butan-2-yl-1-cyano-N-propylcyclopropane-1-carboxamide is CCCN(C(=O)C1(C#N)CC1)C(C)CC.
What is the InChIKey of N-butan-2-yl-1-cyano-N-propylcyclopropane-1-carboxamide?
The InChIKey is SAEXIXOOROOSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-4-8-14(10(3)5-2)11(15)12(9-13)6-7-12/h10H,4-8H2,1-3H3.
What are the key properties of N-butan-2-yl-1-cyano-N-propylcyclopropane-1-carboxamide?
N-butan-2-yl-1-cyano-N-propylcyclopropane-1-carboxamide has a molecular weight of 208.30 g/mol, XLogP of 2.33, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-1-cyano-N-propylcyclopropane-1-carboxamide is sourced from PubChem (CID 177202785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).