1-cyano-N-(3-ethylpentan-2-yl)cyclopropane-1-carboxamide

C12H20N2O — CID 80591827

IUPAC1-cyano-N-(3-ethylpentan-2-yl)cyclopropane-1-carboxamide
SMILESCCC(CC)C(C)NC(=O)C1(C#N)CC1
InChIInChI=1S/C12H20N2O/c1-4-10(5-2)9(3)14-11(15)12(8-13)6-7-12/h9-10H,4-7H2,1-3H3,(H,14,15)
InChIKeyXOSZVHCFKDDOBD-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.23
Rot. Bonds5

About 1-cyano-N-(3-ethylpentan-2-yl)cyclopropane-1-carboxamide

1-cyano-N-(3-ethylpentan-2-yl)cyclopropane-1-carboxamide (PubChem CID 80591827) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-cyano-N-(3-ethylpentan-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(3-ethylpentan-2-yl)cyclopropane-1-carboxamide
PubChem CID80591827
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name1-cyano-N-(3-ethylpentan-2-yl)cyclopropane-1-carboxamide
SMILESCCC(CC)C(C)NC(=O)C1(C#N)CC1
InChIInChI=1S/C12H20N2O/c1-4-10(5-2)9(3)14-11(15)12(8-13)6-7-12/h9-10H,4-7H2,1-3H3,(H,14,15)
InChIKeyXOSZVHCFKDDOBD-UHFFFAOYSA-N
XLogP2.23
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 164554147
CID 164554147
CID 164821478
CID 164821478
CID 167135158
CID 167135158
CID 53508551
CID 53508551
CID 65710941
CID 65710941
CID 105935362
CID 105935362
CID 105935366
CID 105935366
CID 126816111
CID 126816111

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(3-ethylpentan-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1-cyano-N-(3-ethylpentan-2-yl)cyclopropane-1-carboxamide (CID 80591827) is 1-cyano-N-(3-ethylpentan-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(3-ethylpentan-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(3-ethylpentan-2-yl)cyclopropane-1-carboxamide is CCC(CC)C(C)NC(=O)C1(C#N)CC1.
What is the InChIKey of 1-cyano-N-(3-ethylpentan-2-yl)cyclopropane-1-carboxamide?
The InChIKey is XOSZVHCFKDDOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-4-10(5-2)9(3)14-11(15)12(8-13)6-7-12/h9-10H,4-7H2,1-3H3,(H,14,15).
What are the key properties of 1-cyano-N-(3-ethylpentan-2-yl)cyclopropane-1-carboxamide?
1-cyano-N-(3-ethylpentan-2-yl)cyclopropane-1-carboxamide has a molecular weight of 208.30 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(3-ethylpentan-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 80591827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).