(1R)-1-cyano-2-(cyclohexen-1-yl)-N-methyl-N-propan-2-ylcycloprop-2-ene-1-carboxamide

C15H20N2O — CID 71243271

IUPAC(1R)-1-cyano-2-(cyclohexen-1-yl)-N-methyl-N-propan-2-ylcycloprop-2-ene-1-carboxamide
SMILESCC(C)N(C)C(=O)[C@]1(C#N)C=C1C1=CCCCC1
InChIInChI=1S/C15H20N2O/c1-11(2)17(3)14(18)15(10-16)9-13(15)12-7-5-4-6-8-12/h7,9,11H,4-6,8H2,1-3H3/t15-/m0/s1
InChIKeyDBBUACZEZOZRIC-HNNXBMFYSA-N
MW244.34 g/mol
LogP2.80
Rot. Bonds3

About (1R)-1-cyano-2-(cyclohexen-1-yl)-N-methyl-N-propan-2-ylcycloprop-2-ene-1-carboxamide

(1R)-1-cyano-2-(cyclohexen-1-yl)-N-methyl-N-propan-2-ylcycloprop-2-ene-1-carboxamide (PubChem CID 71243271) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is (1R)-1-cyano-2-(cyclohexen-1-yl)-N-methyl-N-propan-2-ylcycloprop-2-ene-1-carboxamide.

Molecular Properties

Compound Name(1R)-1-cyano-2-(cyclohexen-1-yl)-N-methyl-N-propan-2-ylcycloprop-2-ene-1-carboxamide
PubChem CID71243271
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name(1R)-1-cyano-2-(cyclohexen-1-yl)-N-methyl-N-propan-2-ylcycloprop-2-ene-1-carboxamide
SMILESCC(C)N(C)C(=O)[C@]1(C#N)C=C1C1=CCCCC1
InChIInChI=1S/C15H20N2O/c1-11(2)17(3)14(18)15(10-16)9-13(15)12-7-5-4-6-8-12/h7,9,11H,4-6,8H2,1-3H3/t15-/m0/s1
InChIKeyDBBUACZEZOZRIC-HNNXBMFYSA-N
XLogP2.80
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-cyano-2-(cyclohexen-1-yl)-N-methyl-N-propan-2-ylcycloprop-2-ene-1-carboxamide?
The IUPAC name of (1R)-1-cyano-2-(cyclohexen-1-yl)-N-methyl-N-propan-2-ylcycloprop-2-ene-1-carboxamide (CID 71243271) is (1R)-1-cyano-2-(cyclohexen-1-yl)-N-methyl-N-propan-2-ylcycloprop-2-ene-1-carboxamide.
What is the SMILES notation for (1R)-1-cyano-2-(cyclohexen-1-yl)-N-methyl-N-propan-2-ylcycloprop-2-ene-1-carboxamide?
The canonical SMILES for (1R)-1-cyano-2-(cyclohexen-1-yl)-N-methyl-N-propan-2-ylcycloprop-2-ene-1-carboxamide is CC(C)N(C)C(=O)[C@]1(C#N)C=C1C1=CCCCC1.
What is the InChIKey of (1R)-1-cyano-2-(cyclohexen-1-yl)-N-methyl-N-propan-2-ylcycloprop-2-ene-1-carboxamide?
The InChIKey is DBBUACZEZOZRIC-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-11(2)17(3)14(18)15(10-16)9-13(15)12-7-5-4-6-8-12/h7,9,11H,4-6,8H2,1-3H3/t15-/m0/s1.
What are the key properties of (1R)-1-cyano-2-(cyclohexen-1-yl)-N-methyl-N-propan-2-ylcycloprop-2-ene-1-carboxamide?
(1R)-1-cyano-2-(cyclohexen-1-yl)-N-methyl-N-propan-2-ylcycloprop-2-ene-1-carboxamide has a molecular weight of 244.34 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-cyano-2-(cyclohexen-1-yl)-N-methyl-N-propan-2-ylcycloprop-2-ene-1-carboxamide is sourced from PubChem (CID 71243271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).