(6-methylcyclohexen-1-yl) nitrite

C7H11NO2 — CID 163927289

IUPAC(6-methylcyclohexen-1-yl) nitrite
SMILESCC1CCCC=C1ON=O
InChIInChI=1S/C7H11NO2/c1-6-4-2-3-5-7(6)10-8-9/h5-6H,2-4H2,1H3
InChIKeyRFPDESHJFSGAFE-UHFFFAOYSA-N
MW141.17 g/mol
LogP2.39
Rot. Bonds2

About (6-methylcyclohexen-1-yl) nitrite

(6-methylcyclohexen-1-yl) nitrite (PubChem CID 163927289) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is (6-methylcyclohexen-1-yl) nitrite.

Molecular Properties

Compound Name(6-methylcyclohexen-1-yl) nitrite
PubChem CID163927289
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name(6-methylcyclohexen-1-yl) nitrite
SMILESCC1CCCC=C1ON=O
InChIInChI=1S/C7H11NO2/c1-6-4-2-3-5-7(6)10-8-9/h5-6H,2-4H2,1H3
InChIKeyRFPDESHJFSGAFE-UHFFFAOYSA-N
XLogP2.39
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (6-methylcyclohexen-1-yl) nitrite with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-chloro-6-methylcyclohexene
CID 565192
2,5-dimethyl-1-(6-methylcyclohexen-1-yl)oxy-1-phenylsilolane
CID 15526604
(1R)-1-methyl-1,2,3,4,4a,5,6,7-octahydronaphthalene
CID 100929671
1,7-dimethylcycloheptene
CID 13493194
6-methyl-N-propan-2-ylcyclohexen-1-amine
CID 45091794
2-methoxy-N-methyl-N-[(6-methylcyclohexen-1-yl)methyl]ethanamine
CID 145141285
(7R)-7-methylcyclohept-2-en-1-one
CID 13297857
7-methylcyclohept-2-en-1-one
CID 11309509
1-(6-methylcyclohexen-1-yl)-4-methylsulfonylbenzene
CID 70037465
4-fluoro-1-methyl-2-(6-methylcyclohexen-1-yl)benzene
CID 175322734
1,6,7-trimethylcycloheptene
CID 91039124
2,2-dimethyl-1-(2-trimethylsilyloxycyclohex-2-en-1-yl)propan-1-one
CID 101026385

Frequently Asked Questions

What is the IUPAC name of (6-methylcyclohexen-1-yl) nitrite?
The IUPAC name of (6-methylcyclohexen-1-yl) nitrite (CID 163927289) is (6-methylcyclohexen-1-yl) nitrite.
What is the SMILES notation for (6-methylcyclohexen-1-yl) nitrite?
The canonical SMILES for (6-methylcyclohexen-1-yl) nitrite is CC1CCCC=C1ON=O.
What is the InChIKey of (6-methylcyclohexen-1-yl) nitrite?
The InChIKey is RFPDESHJFSGAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-6-4-2-3-5-7(6)10-8-9/h5-6H,2-4H2,1H3.
What are the key properties of (6-methylcyclohexen-1-yl) nitrite?
(6-methylcyclohexen-1-yl) nitrite has a molecular weight of 141.17 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methylcyclohexen-1-yl) nitrite is sourced from PubChem (CID 163927289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).