1-methyl-2-penta-3,4-dien-2-ylcyclopropane

C9H14 — CID 123714887

IUPAC1-methyl-2-penta-3,4-dien-2-ylcyclopropane
SMILESC=C=CC(C)C1CC1C
InChIInChI=1S/C9H14/c1-4-5-7(2)9-6-8(9)3/h5,7-9H,1,6H2,2-3H3
InChIKeyQWMXVUQGAKWNSQ-UHFFFAOYSA-N
MW122.21 g/mol
LogP2.62
Rot. Bonds2

About 1-methyl-2-penta-3,4-dien-2-ylcyclopropane

1-methyl-2-penta-3,4-dien-2-ylcyclopropane (PubChem CID 123714887) has the molecular formula C9H14 and a molecular weight of 122.21 g/mol. Its IUPAC name is 1-methyl-2-penta-3,4-dien-2-ylcyclopropane.

Molecular Properties

Compound Name1-methyl-2-penta-3,4-dien-2-ylcyclopropane
PubChem CID123714887
Molecular FormulaC9H14
Molecular Weight122.21 g/mol
Exact Mass122.11
IUPAC Name1-methyl-2-penta-3,4-dien-2-ylcyclopropane
SMILESC=C=CC(C)C1CC1C
InChIInChI=1S/C9H14/c1-4-5-7(2)9-6-8(9)3/h5,7-9H,1,6H2,2-3H3
InChIKeyQWMXVUQGAKWNSQ-UHFFFAOYSA-N
XLogP2.62
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 ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-penta-3,4-dien-2-ylcyclopropane?
The IUPAC name of 1-methyl-2-penta-3,4-dien-2-ylcyclopropane (CID 123714887) is 1-methyl-2-penta-3,4-dien-2-ylcyclopropane.
What is the SMILES notation for 1-methyl-2-penta-3,4-dien-2-ylcyclopropane?
The canonical SMILES for 1-methyl-2-penta-3,4-dien-2-ylcyclopropane is C=C=CC(C)C1CC1C.
What is the InChIKey of 1-methyl-2-penta-3,4-dien-2-ylcyclopropane?
The InChIKey is QWMXVUQGAKWNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14/c1-4-5-7(2)9-6-8(9)3/h5,7-9H,1,6H2,2-3H3.
What are the key properties of 1-methyl-2-penta-3,4-dien-2-ylcyclopropane?
1-methyl-2-penta-3,4-dien-2-ylcyclopropane has a molecular weight of 122.21 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-penta-3,4-dien-2-ylcyclopropane is sourced from PubChem (CID 123714887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).