3-(N-methoxy-C-methylcarbonimidoyl)cyclohexane-1-carbonitrile

C10H16N2O — CID 140887591

IUPAC3-(N-methoxy-C-methylcarbonimidoyl)cyclohexane-1-carbonitrile
SMILESCON=C(C)C1CCCC(C#N)C1
InChIInChI=1S/C10H16N2O/c1-8(12-13-2)10-5-3-4-9(6-10)7-11/h9-10H,3-6H2,1-2H3
InChIKeyWXNARXXDUXFFFX-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.34
Rot. Bonds2

About 3-(N-methoxy-C-methylcarbonimidoyl)cyclohexane-1-carbonitrile

3-(N-methoxy-C-methylcarbonimidoyl)cyclohexane-1-carbonitrile (PubChem CID 140887591) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 3-(N-methoxy-C-methylcarbonimidoyl)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name3-(N-methoxy-C-methylcarbonimidoyl)cyclohexane-1-carbonitrile
PubChem CID140887591
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name3-(N-methoxy-C-methylcarbonimidoyl)cyclohexane-1-carbonitrile
SMILESCON=C(C)C1CCCC(C#N)C1
InChIInChI=1S/C10H16N2O/c1-8(12-13-2)10-5-3-4-9(6-10)7-11/h9-10H,3-6H2,1-2H3
InChIKeyWXNARXXDUXFFFX-UHFFFAOYSA-N
XLogP2.34
TPSA45.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-acetylcyclohexane-1-carbonitrile
CID 118513837
trans-(1R,3R)-3-cyanocyclohexane-1-carboxamide
CID 89420960
lithium;3-cyanocyclohexane-1-carboxylic acid;hydroxide
CID 175765864
cis-(1R,3S)-N-tert-butyl-3-cyanocyclohexane-1-carboxamide
CID 130284939
cis-(1R,3S)-3-hydroxycyclohexane-1-carbonitrile
CID 69057748
3-hydroxycyclohexane-1-carbonitrile
CID 22743809
3-cyano-N-(dicyclopropylmethyl)cyclohexane-1-carboxamide
CID 130286029
3-cyano-N-(oxetan-3-yl)cyclohexane-1-carboxamide
CID 130284996
methyl 3-cyanocyclobutane-1-carboxylate
CID 73425273
tert-butyl-[(1R,3R)-3-cyanocyclohexyl]carbamic acid
CID 67278135
2-[cyclobutyl(methoxy)methylidene]propanedinitrile
CID 22308698
3-methoxyiminocyclononane-1-carbonitrile
CID 140887446

Frequently Asked Questions

What is the IUPAC name of 3-(N-methoxy-C-methylcarbonimidoyl)cyclohexane-1-carbonitrile?
The IUPAC name of 3-(N-methoxy-C-methylcarbonimidoyl)cyclohexane-1-carbonitrile (CID 140887591) is 3-(N-methoxy-C-methylcarbonimidoyl)cyclohexane-1-carbonitrile.
What is the SMILES notation for 3-(N-methoxy-C-methylcarbonimidoyl)cyclohexane-1-carbonitrile?
The canonical SMILES for 3-(N-methoxy-C-methylcarbonimidoyl)cyclohexane-1-carbonitrile is CON=C(C)C1CCCC(C#N)C1.
What is the InChIKey of 3-(N-methoxy-C-methylcarbonimidoyl)cyclohexane-1-carbonitrile?
The InChIKey is WXNARXXDUXFFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-8(12-13-2)10-5-3-4-9(6-10)7-11/h9-10H,3-6H2,1-2H3.
What are the key properties of 3-(N-methoxy-C-methylcarbonimidoyl)cyclohexane-1-carbonitrile?
3-(N-methoxy-C-methylcarbonimidoyl)cyclohexane-1-carbonitrile has a molecular weight of 180.25 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-methoxy-C-methylcarbonimidoyl)cyclohexane-1-carbonitrile is sourced from PubChem (CID 140887591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).