7-methyl-5-nitrobicyclo[4.1.0]hept-2-ene

C8H11NO2 — CID 163742782

IUPAC7-methyl-5-nitrobicyclo[4.1.0]hept-2-ene
SMILESCC1C2C=CCC([N+](=O)[O-])C12
InChIInChI=1S/C8H11NO2/c1-5-6-3-2-4-7(8(5)6)9(10)11/h2-3,5-8H,4H2,1H3
InChIKeyLJFQGRQTSHMCDR-UHFFFAOYSA-N
MW153.18 g/mol
LogP1.47
Rot. Bonds1

About 7-methyl-5-nitrobicyclo[4.1.0]hept-2-ene

7-methyl-5-nitrobicyclo[4.1.0]hept-2-ene (PubChem CID 163742782) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 7-methyl-5-nitrobicyclo[4.1.0]hept-2-ene.

Molecular Properties

Compound Name7-methyl-5-nitrobicyclo[4.1.0]hept-2-ene
PubChem CID163742782
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name7-methyl-5-nitrobicyclo[4.1.0]hept-2-ene
SMILESCC1C2C=CCC([N+](=O)[O-])C12
InChIInChI=1S/C8H11NO2/c1-5-6-3-2-4-7(8(5)6)9(10)11/h2-3,5-8H,4H2,1H3
InChIKeyLJFQGRQTSHMCDR-UHFFFAOYSA-N
XLogP1.47
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 5-nitrocyclopent-2-ene-1-carboxylate
CID 121272624
6-but-1-enyl-5,8-dimethylbicyclo[5.1.0]oct-2-ene
CID 123623400
8,9-dimethyltricyclo[5.2.1.02,6]dec-3-ene
CID 22949638
3-methylcyclobutene;sulfane
CID 90110313
1,2-dinitrocyclohexane
CID 19756713
N-(4,5-dimethyl-2-nitrophenyl)bicyclo[3.2.0]hept-3-en-6-amine
CID 62100140
(7R)-7-methylbicyclo[3.2.0]hept-2-en-6-one
CID 142417985
1,2-dimethoxy-4-[(1S,6S)-6-nitrocyclohex-3-en-1-yl]benzene
CID 15389588
5,6-dimethylcyclohex-2-ene-1-thiol
CID 143060463
trans-(1R,2R)-2-nitrocyclohexan-1-ol
CID 12858497
trans-(1R,2R)-1-nitro-2-(trifluoromethyl)cyclopropane
CID 102484537
4,5-dimethyl-4-nitrocyclohexene
CID 163844382

Frequently Asked Questions

What is the IUPAC name of 7-methyl-5-nitrobicyclo[4.1.0]hept-2-ene?
The IUPAC name of 7-methyl-5-nitrobicyclo[4.1.0]hept-2-ene (CID 163742782) is 7-methyl-5-nitrobicyclo[4.1.0]hept-2-ene.
What is the SMILES notation for 7-methyl-5-nitrobicyclo[4.1.0]hept-2-ene?
The canonical SMILES for 7-methyl-5-nitrobicyclo[4.1.0]hept-2-ene is CC1C2C=CCC([N+](=O)[O-])C12.
What is the InChIKey of 7-methyl-5-nitrobicyclo[4.1.0]hept-2-ene?
The InChIKey is LJFQGRQTSHMCDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-5-6-3-2-4-7(8(5)6)9(10)11/h2-3,5-8H,4H2,1H3.
What are the key properties of 7-methyl-5-nitrobicyclo[4.1.0]hept-2-ene?
7-methyl-5-nitrobicyclo[4.1.0]hept-2-ene has a molecular weight of 153.18 g/mol, XLogP of 1.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5-nitrobicyclo[4.1.0]hept-2-ene is sourced from PubChem (CID 163742782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).