N-(1-cyanobutan-2-yl)-2-cyclopropylcyclopropane-1-carboxamide

C12H18N2O — CID 75485006

IUPACN-(1-cyanobutan-2-yl)-2-cyclopropylcyclopropane-1-carboxamide
SMILESCCC(CC#N)NC(=O)C1CC1C1CC1
InChIInChI=1S/C12H18N2O/c1-2-9(5-6-13)14-12(15)11-7-10(11)8-3-4-8/h8-11H,2-5,7H2,1H3,(H,14,15)
InChIKeyXHJADPWIDDUEOL-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.84
Rot. Bonds5

About N-(1-cyanobutan-2-yl)-2-cyclopropylcyclopropane-1-carboxamide

N-(1-cyanobutan-2-yl)-2-cyclopropylcyclopropane-1-carboxamide (PubChem CID 75485006) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is N-(1-cyanobutan-2-yl)-2-cyclopropylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(1-cyanobutan-2-yl)-2-cyclopropylcyclopropane-1-carboxamide
PubChem CID75485006
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC NameN-(1-cyanobutan-2-yl)-2-cyclopropylcyclopropane-1-carboxamide
SMILESCCC(CC#N)NC(=O)C1CC1C1CC1
InChIInChI=1S/C12H18N2O/c1-2-9(5-6-13)14-12(15)11-7-10(11)8-3-4-8/h8-11H,2-5,7H2,1H3,(H,14,15)
InChIKeyXHJADPWIDDUEOL-UHFFFAOYSA-N
XLogP1.84
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyano-N-(dicyclopropylmethyl)cyclopentane-1-carboxamide
CID 61841438
2-[2-[(1-cyanocyclopropanecarbonyl)amino]propyl]-1-fluoro-N-propan-2-ylcyclopropane-1-carboxamide
CID 166965900
N-(dicyclopropylmethyl)cyclohexanecarboxamide
CID 40140600
N-[cyano(cyclopropyl)methyl]-4,4-difluorocyclohexane-1-carboxamide
CID 81931485
2-cyano-N,5,5-tricyclopropyl-3-oxopentanamide
CID 47425508
Cyclopropane carboxamide, 2-cyclopropyl-2-methyl-N-(1-cyclopropylethyl)-
CID 534988
2-amino-N-[cyano(cyclopropyl)methyl]cyclohexane-1-carboxamide
CID 18417042
cis-(1S,2R)-2-N-[(S)-cyano(cyclopropyl)methyl]cyclohexane-1,2-dicarboxamide
CID 20740195
cis-(1R,2S)-2-acetamido-N-[(S)-cyano(cyclopropyl)methyl]cyclohexane-1-carboxamide
CID 20740239
2-(2-cyclopropylethyl)-3-methyl-N-propan-2-ylbutanamide
CID 21366265
4-cyclopropyl-2-(cyclopropylmethyl)-N-propan-2-ylbutanamide
CID 21366357
4-cyclopropyl-2-[(2-methylcyclopropyl)methyl]-N-propan-2-ylbutanamide
CID 21366358

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanobutan-2-yl)-2-cyclopropylcyclopropane-1-carboxamide?
The IUPAC name of N-(1-cyanobutan-2-yl)-2-cyclopropylcyclopropane-1-carboxamide (CID 75485006) is N-(1-cyanobutan-2-yl)-2-cyclopropylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(1-cyanobutan-2-yl)-2-cyclopropylcyclopropane-1-carboxamide?
The canonical SMILES for N-(1-cyanobutan-2-yl)-2-cyclopropylcyclopropane-1-carboxamide is CCC(CC#N)NC(=O)C1CC1C1CC1.
What is the InChIKey of N-(1-cyanobutan-2-yl)-2-cyclopropylcyclopropane-1-carboxamide?
The InChIKey is XHJADPWIDDUEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-2-9(5-6-13)14-12(15)11-7-10(11)8-3-4-8/h8-11H,2-5,7H2,1H3,(H,14,15).
What are the key properties of N-(1-cyanobutan-2-yl)-2-cyclopropylcyclopropane-1-carboxamide?
N-(1-cyanobutan-2-yl)-2-cyclopropylcyclopropane-1-carboxamide has a molecular weight of 206.29 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanobutan-2-yl)-2-cyclopropylcyclopropane-1-carboxamide is sourced from PubChem (CID 75485006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).