4-methyl-2-nitroso-1-prop-1-en-2-ylcyclohexane

C10H17NO — CID 118401565

IUPAC4-methyl-2-nitroso-1-prop-1-en-2-ylcyclohexane
SMILESC=C(C)C1CCC(C)CC1N=O
InChIInChI=1S/C10H17NO/c1-7(2)9-5-4-8(3)6-10(9)11-12/h8-10H,1,4-6H2,2-3H3
InChIKeyFMIRSJDCPWESSE-UHFFFAOYSA-N
MW167.25 g/mol
LogP3.13
Rot. Bonds2

About 4-methyl-2-nitroso-1-prop-1-en-2-ylcyclohexane

4-methyl-2-nitroso-1-prop-1-en-2-ylcyclohexane (PubChem CID 118401565) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 4-methyl-2-nitroso-1-prop-1-en-2-ylcyclohexane.

Molecular Properties

Compound Name4-methyl-2-nitroso-1-prop-1-en-2-ylcyclohexane
PubChem CID118401565
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name4-methyl-2-nitroso-1-prop-1-en-2-ylcyclohexane
SMILESC=C(C)C1CCC(C)CC1N=O
InChIInChI=1S/C10H17NO/c1-7(2)9-5-4-8(3)6-10(9)11-12/h8-10H,1,4-6H2,2-3H3
InChIKeyFMIRSJDCPWESSE-UHFFFAOYSA-N
XLogP3.13
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-nitroso-1-prop-1-en-2-ylcyclohexane?
The IUPAC name of 4-methyl-2-nitroso-1-prop-1-en-2-ylcyclohexane (CID 118401565) is 4-methyl-2-nitroso-1-prop-1-en-2-ylcyclohexane.
What is the SMILES notation for 4-methyl-2-nitroso-1-prop-1-en-2-ylcyclohexane?
The canonical SMILES for 4-methyl-2-nitroso-1-prop-1-en-2-ylcyclohexane is C=C(C)C1CCC(C)CC1N=O.
What is the InChIKey of 4-methyl-2-nitroso-1-prop-1-en-2-ylcyclohexane?
The InChIKey is FMIRSJDCPWESSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-7(2)9-5-4-8(3)6-10(9)11-12/h8-10H,1,4-6H2,2-3H3.
What are the key properties of 4-methyl-2-nitroso-1-prop-1-en-2-ylcyclohexane?
4-methyl-2-nitroso-1-prop-1-en-2-ylcyclohexane has a molecular weight of 167.25 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-nitroso-1-prop-1-en-2-ylcyclohexane is sourced from PubChem (CID 118401565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).