(1S)-4-methylidene-2-nitroso-1-prop-1-en-2-ylcyclohexane

C10H15NO — CID 134472042

IUPAC(1S)-4-methylidene-2-nitroso-1-prop-1-en-2-ylcyclohexane
SMILESC=C1CC[C@@H](C(=C)C)C(N=O)C1
InChIInChI=1S/C10H15NO/c1-7(2)9-5-4-8(3)6-10(9)11-12/h9-10H,1,3-6H2,2H3/t9-,10?/m0/s1
InChIKeyNGWLLDMJMKIUOA-RGURZIINSA-N
MW165.24 g/mol
LogP3.05
Rot. Bonds2

About (1S)-4-methylidene-2-nitroso-1-prop-1-en-2-ylcyclohexane

(1S)-4-methylidene-2-nitroso-1-prop-1-en-2-ylcyclohexane (PubChem CID 134472042) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is (1S)-4-methylidene-2-nitroso-1-prop-1-en-2-ylcyclohexane.

Molecular Properties

Compound Name(1S)-4-methylidene-2-nitroso-1-prop-1-en-2-ylcyclohexane
PubChem CID134472042
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name(1S)-4-methylidene-2-nitroso-1-prop-1-en-2-ylcyclohexane
SMILESC=C1CC[C@@H](C(=C)C)C(N=O)C1
InChIInChI=1S/C10H15NO/c1-7(2)9-5-4-8(3)6-10(9)11-12/h9-10H,1,3-6H2,2H3/t9-,10?/m0/s1
InChIKeyNGWLLDMJMKIUOA-RGURZIINSA-N
XLogP3.05
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 53.05
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 (1S)-4-methylidene-2-nitroso-1-prop-1-en-2-ylcyclohexane?
The IUPAC name of (1S)-4-methylidene-2-nitroso-1-prop-1-en-2-ylcyclohexane (CID 134472042) is (1S)-4-methylidene-2-nitroso-1-prop-1-en-2-ylcyclohexane.
What is the SMILES notation for (1S)-4-methylidene-2-nitroso-1-prop-1-en-2-ylcyclohexane?
The canonical SMILES for (1S)-4-methylidene-2-nitroso-1-prop-1-en-2-ylcyclohexane is C=C1CC[C@@H](C(=C)C)C(N=O)C1.
What is the InChIKey of (1S)-4-methylidene-2-nitroso-1-prop-1-en-2-ylcyclohexane?
The InChIKey is NGWLLDMJMKIUOA-RGURZIINSA-N. The full InChI is InChI=1S/C10H15NO/c1-7(2)9-5-4-8(3)6-10(9)11-12/h9-10H,1,3-6H2,2H3/t9-,10?/m0/s1.
What are the key properties of (1S)-4-methylidene-2-nitroso-1-prop-1-en-2-ylcyclohexane?
(1S)-4-methylidene-2-nitroso-1-prop-1-en-2-ylcyclohexane has a molecular weight of 165.24 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-4-methylidene-2-nitroso-1-prop-1-en-2-ylcyclohexane is sourced from PubChem (CID 134472042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).