1-cyano-N-(1-hydroxy-4,4-dimethylpentan-3-yl)cyclopropane-1-carboxamide

C12H20N2O2 — CID 106350128

IUPAC1-cyano-N-(1-hydroxy-4,4-dimethylpentan-3-yl)cyclopropane-1-carboxamide
SMILESCC(C)(C)C(CCO)NC(=O)C1(C#N)CC1
InChIInChI=1S/C12H20N2O2/c1-11(2,3)9(4-7-15)14-10(16)12(8-13)5-6-12/h9,15H,4-7H2,1-3H3,(H,14,16)
InChIKeyNEPUPZUCPJDELY-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.20
Rot. Bonds4

About 1-cyano-N-(1-hydroxy-4,4-dimethylpentan-3-yl)cyclopropane-1-carboxamide

1-cyano-N-(1-hydroxy-4,4-dimethylpentan-3-yl)cyclopropane-1-carboxamide (PubChem CID 106350128) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-cyano-N-(1-hydroxy-4,4-dimethylpentan-3-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(1-hydroxy-4,4-dimethylpentan-3-yl)cyclopropane-1-carboxamide
PubChem CID106350128
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name1-cyano-N-(1-hydroxy-4,4-dimethylpentan-3-yl)cyclopropane-1-carboxamide
SMILESCC(C)(C)C(CCO)NC(=O)C1(C#N)CC1
InChIInChI=1S/C12H20N2O2/c1-11(2,3)9(4-7-15)14-10(16)12(8-13)5-6-12/h9,15H,4-7H2,1-3H3,(H,14,16)
InChIKeyNEPUPZUCPJDELY-UHFFFAOYSA-N
XLogP1.20
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(1-hydroxy-4,4-dimethylpentan-3-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1-cyano-N-(1-hydroxy-4,4-dimethylpentan-3-yl)cyclopropane-1-carboxamide (CID 106350128) is 1-cyano-N-(1-hydroxy-4,4-dimethylpentan-3-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(1-hydroxy-4,4-dimethylpentan-3-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(1-hydroxy-4,4-dimethylpentan-3-yl)cyclopropane-1-carboxamide is CC(C)(C)C(CCO)NC(=O)C1(C#N)CC1.
What is the InChIKey of 1-cyano-N-(1-hydroxy-4,4-dimethylpentan-3-yl)cyclopropane-1-carboxamide?
The InChIKey is NEPUPZUCPJDELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-11(2,3)9(4-7-15)14-10(16)12(8-13)5-6-12/h9,15H,4-7H2,1-3H3,(H,14,16).
What are the key properties of 1-cyano-N-(1-hydroxy-4,4-dimethylpentan-3-yl)cyclopropane-1-carboxamide?
1-cyano-N-(1-hydroxy-4,4-dimethylpentan-3-yl)cyclopropane-1-carboxamide has a molecular weight of 224.30 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(1-hydroxy-4,4-dimethylpentan-3-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 106350128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).