4-methyl-3-propylcyclopentene

C9H16 — CID 91050594

IUPAC4-methyl-3-propylcyclopentene
SMILESCCCC1C=CCC1C
InChIInChI=1S/C9H16/c1-3-5-9-7-4-6-8(9)2/h4,7-9H,3,5-6H2,1-2H3
InChIKeyLDYNAWQUULSJCT-UHFFFAOYSA-N
MW124.23 g/mol
LogP3.00
Rot. Bonds2

About 4-methyl-3-propylcyclopentene

4-methyl-3-propylcyclopentene (PubChem CID 91050594) has the molecular formula C9H16 and a molecular weight of 124.23 g/mol. Its IUPAC name is 4-methyl-3-propylcyclopentene.

Molecular Properties

Compound Name4-methyl-3-propylcyclopentene
PubChem CID91050594
Molecular FormulaC9H16
Molecular Weight124.23 g/mol
Exact Mass124.13
IUPAC Name4-methyl-3-propylcyclopentene
SMILESCCCC1C=CCC1C
InChIInChI=1S/C9H16/c1-3-5-9-7-4-6-8(9)2/h4,7-9H,3,5-6H2,1-2H3
InChIKeyLDYNAWQUULSJCT-UHFFFAOYSA-N
XLogP3.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.23
LogP ≤ 53.00
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

3,4,5-tripropylcyclohexene
CID 21482570
ethane;ethyl 2-(5-methylcyclopent-2-en-1-yl)acetate
CID 142858342
5-propylcyclohexa-1,3-diene
CID 13212987
1-[(1S,2S,6S)-2-ethyl-6-methylcyclohex-3-en-1-yl]ethanone
CID 67530837
2-propylcyclohex-3-en-1-amine
CID 67951489
(4S)-3,4-dimethylcyclopentene
CID 145216424
8-methyl-9-propyltricyclo[5.2.1.02,6]dec-3-ene
CID 59861025
3-decylcyclobutene
CID 174421846
5-methylcyclopent-2-en-1-ol
CID 23103323
(E)-1-[(1R,2S,6S)-2-ethyl-6-methylcyclohex-3-en-1-yl]but-2-en-1-one
CID 67528598
6-propylcyclohepta-1,4-diene
CID 142104440
3-hexylcyclohex-4-ene-1,2-dicarboxylic acid
CID 154117013

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-propylcyclopentene?
The IUPAC name of 4-methyl-3-propylcyclopentene (CID 91050594) is 4-methyl-3-propylcyclopentene.
What is the SMILES notation for 4-methyl-3-propylcyclopentene?
The canonical SMILES for 4-methyl-3-propylcyclopentene is CCCC1C=CCC1C.
What is the InChIKey of 4-methyl-3-propylcyclopentene?
The InChIKey is LDYNAWQUULSJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16/c1-3-5-9-7-4-6-8(9)2/h4,7-9H,3,5-6H2,1-2H3.
What are the key properties of 4-methyl-3-propylcyclopentene?
4-methyl-3-propylcyclopentene has a molecular weight of 124.23 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-propylcyclopentene is sourced from PubChem (CID 91050594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).