5-(1-methylcycloprop-2-en-1-yl)cyclopenta-1,3-diene

C9H10 — CID 15328759

IUPAC5-(1-methylcycloprop-2-en-1-yl)cyclopenta-1,3-diene
SMILESCC1(C2C=CC=C2)C=C1
InChIInChI=1S/C9H10/c1-9(6-7-9)8-4-2-3-5-8/h2-8H,1H3
InChIKeyJENVGORXBRDRPG-UHFFFAOYSA-N
MW118.18 g/mol
LogP2.30
Rot. Bonds1

About 5-(1-methylcycloprop-2-en-1-yl)cyclopenta-1,3-diene

5-(1-methylcycloprop-2-en-1-yl)cyclopenta-1,3-diene (PubChem CID 15328759) has the molecular formula C9H10 and a molecular weight of 118.18 g/mol. Its IUPAC name is 5-(1-methylcycloprop-2-en-1-yl)cyclopenta-1,3-diene.

Molecular Properties

Compound Name5-(1-methylcycloprop-2-en-1-yl)cyclopenta-1,3-diene
PubChem CID15328759
Molecular FormulaC9H10
Molecular Weight118.18 g/mol
Exact Mass118.08
IUPAC Name5-(1-methylcycloprop-2-en-1-yl)cyclopenta-1,3-diene
SMILESCC1(C2C=CC=C2)C=C1
InChIInChI=1S/C9H10/c1-9(6-7-9)8-4-2-3-5-8/h2-8H,1H3
InChIKeyJENVGORXBRDRPG-UHFFFAOYSA-N
XLogP2.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.18
LogP ≤ 52.30
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

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CID 101066408
(1S,8S)-9,9-dimethylbicyclo[6.1.0]nona-2,4,6-triene
CID 71408761
2,2-dimethylcyclohepta-4,6-diene-1,3-diol
CID 130145484
8a,9a-dimethyl-4b,9-dihydro-4aH-carbazole
CID 163824342
(1R,2R)-1-methylcyclohexa-3,5-diene-1,2-diol
CID 11622337
1,6-dimethylcyclohexa-2,4-dien-1-ol;hydrate
CID 172555879
6-(difluoromethyl)-5,5-dimethylcyclohexa-1,3-diene
CID 154473465
5-(1-cyclopenta-2,4-dien-1-yl-2-ethylcyclopropyl)cyclopenta-1,3-diene
CID 140972516
1-methylbicyclo[4.2.1]nona-2,4,7-triene
CID 71389373
1,6-ditert-butylcyclohexa-2,4-dien-1-amine
CID 176901805
5,5-dimethyl-6-(trifluoromethyl)cyclohexa-1,3-diene
CID 89187288
6-ethyl-5-fluoro-5-methylcyclohexa-1,3-diene
CID 139457511

Frequently Asked Questions

What is the IUPAC name of 5-(1-methylcycloprop-2-en-1-yl)cyclopenta-1,3-diene?
The IUPAC name of 5-(1-methylcycloprop-2-en-1-yl)cyclopenta-1,3-diene (CID 15328759) is 5-(1-methylcycloprop-2-en-1-yl)cyclopenta-1,3-diene.
What is the SMILES notation for 5-(1-methylcycloprop-2-en-1-yl)cyclopenta-1,3-diene?
The canonical SMILES for 5-(1-methylcycloprop-2-en-1-yl)cyclopenta-1,3-diene is CC1(C2C=CC=C2)C=C1.
What is the InChIKey of 5-(1-methylcycloprop-2-en-1-yl)cyclopenta-1,3-diene?
The InChIKey is JENVGORXBRDRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10/c1-9(6-7-9)8-4-2-3-5-8/h2-8H,1H3.
What are the key properties of 5-(1-methylcycloprop-2-en-1-yl)cyclopenta-1,3-diene?
5-(1-methylcycloprop-2-en-1-yl)cyclopenta-1,3-diene has a molecular weight of 118.18 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylcycloprop-2-en-1-yl)cyclopenta-1,3-diene is sourced from PubChem (CID 15328759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).