2-methylpropylidenecyclopropane

C7H12 — CID 23269024

IUPAC2-methylpropylidenecyclopropane
SMILESCC(C)C=C1CC1
InChIInChI=1S/C7H12/c1-6(2)5-7-3-4-7/h5-6H,3-4H2,1-2H3
InChIKeyGEJHFHTVZYDROD-UHFFFAOYSA-N
MW96.17 g/mol
LogP2.36
Rot. Bonds1

About 2-methylpropylidenecyclopropane

2-methylpropylidenecyclopropane (PubChem CID 23269024) has the molecular formula C7H12 and a molecular weight of 96.17 g/mol. Its IUPAC name is 2-methylpropylidenecyclopropane.

Molecular Properties

Compound Name2-methylpropylidenecyclopropane
PubChem CID23269024
Molecular FormulaC7H12
Molecular Weight96.17 g/mol
Exact Mass96.09
IUPAC Name2-methylpropylidenecyclopropane
SMILESCC(C)C=C1CC1
InChIInChI=1S/C7H12/c1-6(2)5-7-3-4-7/h5-6H,3-4H2,1-2H3
InChIKeyGEJHFHTVZYDROD-UHFFFAOYSA-N
XLogP2.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.17
LogP ≤ 52.36
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

2,4-Dimethylpent-2-ene
CID 12260
2-Pentene, 3-methyl-, (2Z)-
CID 643935
2-Methyl-2-pentene
CID 12243
3-Methyl-2-pentene
CID 12014
trans-3,4-Dimethyl-2-pentene
CID 638068
(E)-3-methylpent-2-ene
CID 642661
cis-3,4-Dimethyl-2-pentene
CID 643784
3-Methyl-3-hexene, (E)-
CID 5352447
3-Methyl-3-hexene, (Z)-
CID 5357250
Ethylidenecyclopropane
CID 140404
trans-1-Propenylcyclopropane
CID 5364359
3,4-Dimethyl-2-pentene
CID 32737

Frequently Asked Questions

What is the IUPAC name of 2-methylpropylidenecyclopropane?
The IUPAC name of 2-methylpropylidenecyclopropane (CID 23269024) is 2-methylpropylidenecyclopropane.
What is the SMILES notation for 2-methylpropylidenecyclopropane?
The canonical SMILES for 2-methylpropylidenecyclopropane is CC(C)C=C1CC1.
What is the InChIKey of 2-methylpropylidenecyclopropane?
The InChIKey is GEJHFHTVZYDROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12/c1-6(2)5-7-3-4-7/h5-6H,3-4H2,1-2H3.
What are the key properties of 2-methylpropylidenecyclopropane?
2-methylpropylidenecyclopropane has a molecular weight of 96.17 g/mol, XLogP of 2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropylidenecyclopropane is sourced from PubChem (CID 23269024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).