[(1R,5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] nitrite

C10H15NO2 — CID 169007971

IUPAC[(1R,5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] nitrite
SMILESC=C(C)[C@H]1CC=C(C)[C@H](ON=O)C1
InChIInChI=1S/C10H15NO2/c1-7(2)9-5-4-8(3)10(6-9)13-11-12/h4,9-10H,1,5-6H2,2-3H3/t9-,10+/m0/s1
InChIKeyLKYSYAZWIYMJBK-VHSXEESVSA-N
MW181.23 g/mol
LogP2.99
Rot. Bonds3

About [(1R,5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] nitrite

[(1R,5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] nitrite (PubChem CID 169007971) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is [(1R,5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] nitrite.

Molecular Properties

Compound Name[(1R,5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] nitrite
PubChem CID169007971
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name[(1R,5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] nitrite
SMILESC=C(C)[C@H]1CC=C(C)[C@H](ON=O)C1
InChIInChI=1S/C10H15NO2/c1-7(2)9-5-4-8(3)10(6-9)13-11-12/h4,9-10H,1,5-6H2,2-3H3/t9-,10+/m0/s1
InChIKeyLKYSYAZWIYMJBK-VHSXEESVSA-N
XLogP2.99
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1R,5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] nitrite?
The IUPAC name of [(1R,5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] nitrite (CID 169007971) is [(1R,5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] nitrite.
What is the SMILES notation for [(1R,5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] nitrite?
The canonical SMILES for [(1R,5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] nitrite is C=C(C)[C@H]1CC=C(C)[C@H](ON=O)C1.
What is the InChIKey of [(1R,5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] nitrite?
The InChIKey is LKYSYAZWIYMJBK-VHSXEESVSA-N. The full InChI is InChI=1S/C10H15NO2/c1-7(2)9-5-4-8(3)10(6-9)13-11-12/h4,9-10H,1,5-6H2,2-3H3/t9-,10+/m0/s1.
What are the key properties of [(1R,5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] nitrite?
[(1R,5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] nitrite has a molecular weight of 181.23 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] nitrite is sourced from PubChem (CID 169007971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).