1-(3-methylpent-2-enyl)cyclopropene

C9H14 — CID 123369820

IUPAC1-(3-methylpent-2-enyl)cyclopropene
SMILESCCC(C)=CCC1=CC1
InChIInChI=1S/C9H14/c1-3-8(2)4-5-9-6-7-9/h4,6H,3,5,7H2,1-2H3
InChIKeyMZIPDHNVVATVBM-UHFFFAOYSA-N
MW122.21 g/mol
LogP3.06
Rot. Bonds3

About 1-(3-methylpent-2-enyl)cyclopropene

1-(3-methylpent-2-enyl)cyclopropene (PubChem CID 123369820) has the molecular formula C9H14 and a molecular weight of 122.21 g/mol. Its IUPAC name is 1-(3-methylpent-2-enyl)cyclopropene.

Molecular Properties

Compound Name1-(3-methylpent-2-enyl)cyclopropene
PubChem CID123369820
Molecular FormulaC9H14
Molecular Weight122.21 g/mol
Exact Mass122.11
IUPAC Name1-(3-methylpent-2-enyl)cyclopropene
SMILESCCC(C)=CCC1=CC1
InChIInChI=1S/C9H14/c1-3-8(2)4-5-9-6-7-9/h4,6H,3,5,7H2,1-2H3
InChIKeyMZIPDHNVVATVBM-UHFFFAOYSA-N
XLogP3.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.21
LogP ≤ 53.06
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 157350431
methane;(Z)-3-methylhex-3-ene
CID 168892321
(E)-4-methylhex-3-en-1-amine
CID 63969892
3-methylpent-2-ene;zirconium
CID 174393280
(3E,7E)-4,8-dimethyldeca-3,7-dien-1-ol
CID 22749874
(E)-3-methylnon-3-ene
CID 5364647
3,7,11-trimethyltrideca-2,6,10-triene
CID 54049885
3-methylpent-2-en-1-amine
CID 76997051
2-[(2E,6E)-3,7-dimethylnona-2,6-dienyl]-5,6-dimethoxy-3-methylbenzene-1,4-diol
CID 164890062
(6E,10E,14E,18E)-2,6,11,15,19-pentamethylhenicosa-2,6,10,14,18-pentaene
CID 91751137
(Z)-3-methylheptadec-3-ene
CID 159647191
3-methylicos-3-ene
CID 91445266

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylpent-2-enyl)cyclopropene?
The IUPAC name of 1-(3-methylpent-2-enyl)cyclopropene (CID 123369820) is 1-(3-methylpent-2-enyl)cyclopropene.
What is the SMILES notation for 1-(3-methylpent-2-enyl)cyclopropene?
The canonical SMILES for 1-(3-methylpent-2-enyl)cyclopropene is CCC(C)=CCC1=CC1.
What is the InChIKey of 1-(3-methylpent-2-enyl)cyclopropene?
The InChIKey is MZIPDHNVVATVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14/c1-3-8(2)4-5-9-6-7-9/h4,6H,3,5,7H2,1-2H3.
What are the key properties of 1-(3-methylpent-2-enyl)cyclopropene?
1-(3-methylpent-2-enyl)cyclopropene has a molecular weight of 122.21 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylpent-2-enyl)cyclopropene is sourced from PubChem (CID 123369820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).