[(3Z)-2-methylpenta-1,3-dien-3-yl]cyclopropane

C9H14 — CID 143871656

IUPAC[(3Z)-2-methylpenta-1,3-dien-3-yl]cyclopropane
SMILESC=C(C)/C(=C\C)C1CC1
InChIInChI=1S/C9H14/c1-4-9(7(2)3)8-5-6-8/h4,8H,2,5-6H2,1,3H3/b9-4+
InChIKeyZMNVPYHKRDVGHS-RUDMXATFSA-N
MW122.21 g/mol
LogP2.92
Rot. Bonds2

About [(3Z)-2-methylpenta-1,3-dien-3-yl]cyclopropane

[(3Z)-2-methylpenta-1,3-dien-3-yl]cyclopropane (PubChem CID 143871656) has the molecular formula C9H14 and a molecular weight of 122.21 g/mol. Its IUPAC name is [(3Z)-2-methylpenta-1,3-dien-3-yl]cyclopropane.

Molecular Properties

Compound Name[(3Z)-2-methylpenta-1,3-dien-3-yl]cyclopropane
PubChem CID143871656
Molecular FormulaC9H14
Molecular Weight122.21 g/mol
Exact Mass122.11
IUPAC Name[(3Z)-2-methylpenta-1,3-dien-3-yl]cyclopropane
SMILESC=C(C)/C(=C\C)C1CC1
InChIInChI=1S/C9H14/c1-4-9(7(2)3)8-5-6-8/h4,8H,2,5-6H2,1,3H3/b9-4+
InChIKeyZMNVPYHKRDVGHS-RUDMXATFSA-N
XLogP2.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.21
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(3Z)-2-methylpenta-1,3-dien-3-yl]cyclopropane?
The IUPAC name of [(3Z)-2-methylpenta-1,3-dien-3-yl]cyclopropane (CID 143871656) is [(3Z)-2-methylpenta-1,3-dien-3-yl]cyclopropane.
What is the SMILES notation for [(3Z)-2-methylpenta-1,3-dien-3-yl]cyclopropane?
The canonical SMILES for [(3Z)-2-methylpenta-1,3-dien-3-yl]cyclopropane is C=C(C)/C(=C\C)C1CC1.
What is the InChIKey of [(3Z)-2-methylpenta-1,3-dien-3-yl]cyclopropane?
The InChIKey is ZMNVPYHKRDVGHS-RUDMXATFSA-N. The full InChI is InChI=1S/C9H14/c1-4-9(7(2)3)8-5-6-8/h4,8H,2,5-6H2,1,3H3/b9-4+.
What are the key properties of [(3Z)-2-methylpenta-1,3-dien-3-yl]cyclopropane?
[(3Z)-2-methylpenta-1,3-dien-3-yl]cyclopropane has a molecular weight of 122.21 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(3Z)-2-methylpenta-1,3-dien-3-yl]cyclopropane is sourced from PubChem (CID 143871656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).