N-(1-cyanocyclopropyl)-4-methylcyclohexane-1-carboxamide

C12H18N2O — CID 118411506

IUPACN-(1-cyanocyclopropyl)-4-methylcyclohexane-1-carboxamide
SMILESCC1CCC(C(=O)NC2(C#N)CC2)CC1
InChIInChI=1S/C12H18N2O/c1-9-2-4-10(5-3-9)11(15)14-12(8-13)6-7-12/h9-10H,2-7H2,1H3,(H,14,15)
InChIKeyATPIFMHACYRCMM-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.99
Rot. Bonds2

About N-(1-cyanocyclopropyl)-4-methylcyclohexane-1-carboxamide

N-(1-cyanocyclopropyl)-4-methylcyclohexane-1-carboxamide (PubChem CID 118411506) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is N-(1-cyanocyclopropyl)-4-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(1-cyanocyclopropyl)-4-methylcyclohexane-1-carboxamide
PubChem CID118411506
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC NameN-(1-cyanocyclopropyl)-4-methylcyclohexane-1-carboxamide
SMILESCC1CCC(C(=O)NC2(C#N)CC2)CC1
InChIInChI=1S/C12H18N2O/c1-9-2-4-10(5-3-9)11(15)14-12(8-13)6-7-12/h9-10H,2-7H2,1H3,(H,14,15)
InChIKeyATPIFMHACYRCMM-UHFFFAOYSA-N
XLogP1.99
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclopropyl)-4-methylcyclohexane-1-carboxamide?
The IUPAC name of N-(1-cyanocyclopropyl)-4-methylcyclohexane-1-carboxamide (CID 118411506) is N-(1-cyanocyclopropyl)-4-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(1-cyanocyclopropyl)-4-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-(1-cyanocyclopropyl)-4-methylcyclohexane-1-carboxamide is CC1CCC(C(=O)NC2(C#N)CC2)CC1.
What is the InChIKey of N-(1-cyanocyclopropyl)-4-methylcyclohexane-1-carboxamide?
The InChIKey is ATPIFMHACYRCMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-9-2-4-10(5-3-9)11(15)14-12(8-13)6-7-12/h9-10H,2-7H2,1H3,(H,14,15).
What are the key properties of N-(1-cyanocyclopropyl)-4-methylcyclohexane-1-carboxamide?
N-(1-cyanocyclopropyl)-4-methylcyclohexane-1-carboxamide has a molecular weight of 206.29 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclopropyl)-4-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 118411506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).