1-cyano-N-methyl-N-(3-methylbutan-2-yl)cyclopropane-1-carboxamide

C11H18N2O — CID 80599221

IUPAC1-cyano-N-methyl-N-(3-methylbutan-2-yl)cyclopropane-1-carboxamide
SMILESCC(C)C(C)N(C)C(=O)C1(C#N)CC1
InChIInChI=1S/C11H18N2O/c1-8(2)9(3)13(4)10(14)11(7-12)5-6-11/h8-9H,5-6H2,1-4H3
InChIKeyDPYSRRRHLNBOPX-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.79
Rot. Bonds3

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

1-cyano-N-methyl-N-(3-methylbutan-2-yl)cyclopropane-1-carboxamide (PubChem CID 80599221) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-cyano-N-methyl-N-(3-methylbutan-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-methyl-N-(3-methylbutan-2-yl)cyclopropane-1-carboxamide
PubChem CID80599221
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name1-cyano-N-methyl-N-(3-methylbutan-2-yl)cyclopropane-1-carboxamide
SMILESCC(C)C(C)N(C)C(=O)C1(C#N)CC1
InChIInChI=1S/C11H18N2O/c1-8(2)9(3)13(4)10(14)11(7-12)5-6-11/h8-9H,5-6H2,1-4H3
InChIKeyDPYSRRRHLNBOPX-UHFFFAOYSA-N
XLogP1.79
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.79
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-(3-methylbutan-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1-cyano-N-methyl-N-(3-methylbutan-2-yl)cyclopropane-1-carboxamide (CID 80599221) is 1-cyano-N-methyl-N-(3-methylbutan-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-methyl-N-(3-methylbutan-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-cyano-N-methyl-N-(3-methylbutan-2-yl)cyclopropane-1-carboxamide is CC(C)C(C)N(C)C(=O)C1(C#N)CC1.
What is the InChIKey of 1-cyano-N-methyl-N-(3-methylbutan-2-yl)cyclopropane-1-carboxamide?
The InChIKey is DPYSRRRHLNBOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-8(2)9(3)13(4)10(14)11(7-12)5-6-11/h8-9H,5-6H2,1-4H3.
What are the key properties of 1-cyano-N-methyl-N-(3-methylbutan-2-yl)cyclopropane-1-carboxamide?
1-cyano-N-methyl-N-(3-methylbutan-2-yl)cyclopropane-1-carboxamide has a molecular weight of 194.28 g/mol, XLogP of 1.79, 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-(3-methylbutan-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 80599221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).