7-propylidenebicyclo[4.1.0]heptane

C10H16 — CID 556456

IUPAC7-propylidenebicyclo[4.1.0]heptane
SMILESCCC=C1C2CCCCC12
InChIInChI=1S/C10H16/c1-2-5-8-9-6-3-4-7-10(8)9/h5,9-10H,2-4,6-7H2,1H3
InChIKeyHZSPRZGGVIADMF-UHFFFAOYSA-N
MW136.24 g/mol
LogP3.14
Rot. Bonds1

About 7-propylidenebicyclo[4.1.0]heptane

7-propylidenebicyclo[4.1.0]heptane (PubChem CID 556456) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is 7-propylidenebicyclo[4.1.0]heptane.

Molecular Properties

Compound Name7-propylidenebicyclo[4.1.0]heptane
PubChem CID556456
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name7-propylidenebicyclo[4.1.0]heptane
SMILESCCC=C1C2CCCCC12
InChIInChI=1S/C10H16/c1-2-5-8-9-6-3-4-7-10(8)9/h5,9-10H,2-4,6-7H2,1H3
InChIKeyHZSPRZGGVIADMF-UHFFFAOYSA-N
XLogP3.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(1R,6S)-7-[(1S,6S)-7-bicyclo[4.1.0]heptanylidene]bicyclo[4.1.0]heptane
CID 98158448
(1S,6R)-7-[(1R,6R)-7-bicyclo[4.1.0]heptanylidene]bicyclo[4.1.0]heptane
CID 99134620
6-(2-methylprop-2-enylidene)bicyclo[3.1.0]hexane
CID 13280446
N-cyclohexylpropan-1-imine
CID 3489363
ethylcyclopentane;methane
CID 143390575
tris(ethylcyclopentane);gadolinium
CID 160752471
cyclobutane;cycloheptane;cyclooctane;cyclopentane;ethylcyclohexane
CID 159227929
chromium;bis(ethylcyclopentane)
CID 91996240
ethane;bis(ethylcyclopentane)
CID 158911237
CID 160611346
CID 160611346
1,3-di(propylidene)cyclobutane
CID 123878518
3-(2,7-dimethylcycloheptylidene)propanal
CID 71395974

Frequently Asked Questions

What is the IUPAC name of 7-propylidenebicyclo[4.1.0]heptane?
The IUPAC name of 7-propylidenebicyclo[4.1.0]heptane (CID 556456) is 7-propylidenebicyclo[4.1.0]heptane.
What is the SMILES notation for 7-propylidenebicyclo[4.1.0]heptane?
The canonical SMILES for 7-propylidenebicyclo[4.1.0]heptane is CCC=C1C2CCCCC12.
What is the InChIKey of 7-propylidenebicyclo[4.1.0]heptane?
The InChIKey is HZSPRZGGVIADMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16/c1-2-5-8-9-6-3-4-7-10(8)9/h5,9-10H,2-4,6-7H2,1H3.
What are the key properties of 7-propylidenebicyclo[4.1.0]heptane?
7-propylidenebicyclo[4.1.0]heptane has a molecular weight of 136.24 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propylidenebicyclo[4.1.0]heptane is sourced from PubChem (CID 556456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).