cyclohex-3-en-1-ylmethyl nitrite

C7H11NO2 — CID 131854414

IUPACcyclohex-3-en-1-ylmethyl nitrite
SMILESO=NOCC1CC=CCC1
InChIInChI=1S/C7H11NO2/c9-8-10-6-7-4-2-1-3-5-7/h1-2,7H,3-6H2
InChIKeyMIJSHMOAUZOIKH-UHFFFAOYSA-N
MW141.17 g/mol
LogP2.04
Rot. Bonds3

About cyclohex-3-en-1-ylmethyl nitrite

cyclohex-3-en-1-ylmethyl nitrite (PubChem CID 131854414) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is cyclohex-3-en-1-ylmethyl nitrite.

Molecular Properties

Compound Namecyclohex-3-en-1-ylmethyl nitrite
PubChem CID131854414
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Namecyclohex-3-en-1-ylmethyl nitrite
SMILESO=NOCC1CC=CCC1
InChIInChI=1S/C7H11NO2/c9-8-10-6-7-4-2-1-3-5-7/h1-2,7H,3-6H2
InChIKeyMIJSHMOAUZOIKH-UHFFFAOYSA-N
XLogP2.04
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 52.04
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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Related Compounds

(4R)-4-(methoxymethyl)cyclohexene
CID 124567710
cyclohex-3-en-1-ylmethoxy(trimethyl)silane
CID 11084547
[(1S)-cyclohex-3-en-1-yl]methyl (1S)-cyclohex-3-ene-1-carboxylate
CID 51381222
cyclohex-3-en-1-ylmethyl cyclohexanecarboxylate
CID 66696550
4-(cyclohex-3-en-1-ylmethoxy)-4-methylcyclohexene
CID 149160336
(4R)-4-(iodomethyl)cyclohexene
CID 11770032
cyclohex-3-en-1-ylmethoxy(ethenyl)phosphinic acid
CID 87155995
bis(cyclohex-3-en-1-ylmethoxy)phosphorylbenzene
CID 87156168
cyclohex-3-en-1-ylmethyl 2-isocyanoprop-2-enoate
CID 140768451
methyl 2-cyclohex-3-en-1-ylacetate
CID 12739784
4-propylcyclohexene
CID 518777
2-(cyclohex-3-en-1-ylmethoxy)oxane
CID 12025488

Frequently Asked Questions

What is the IUPAC name of cyclohex-3-en-1-ylmethyl nitrite?
The IUPAC name of cyclohex-3-en-1-ylmethyl nitrite (CID 131854414) is cyclohex-3-en-1-ylmethyl nitrite.
What is the SMILES notation for cyclohex-3-en-1-ylmethyl nitrite?
The canonical SMILES for cyclohex-3-en-1-ylmethyl nitrite is O=NOCC1CC=CCC1.
What is the InChIKey of cyclohex-3-en-1-ylmethyl nitrite?
The InChIKey is MIJSHMOAUZOIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c9-8-10-6-7-4-2-1-3-5-7/h1-2,7H,3-6H2.
What are the key properties of cyclohex-3-en-1-ylmethyl nitrite?
cyclohex-3-en-1-ylmethyl nitrite has a molecular weight of 141.17 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-3-en-1-ylmethyl nitrite is sourced from PubChem (CID 131854414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).