1-methylidene-2-prop-1-enylcyclopropane

C7H10 — CID 123638122

IUPAC1-methylidene-2-prop-1-enylcyclopropane
SMILESC=C1CC1C=CC
InChIInChI=1S/C7H10/c1-3-4-7-5-6(7)2/h3-4,7H,2,5H2,1H3
InChIKeyOUYFAWWIUFXDRH-UHFFFAOYSA-N
MW94.16 g/mol
LogP2.14
Rot. Bonds1

About 1-methylidene-2-prop-1-enylcyclopropane

1-methylidene-2-prop-1-enylcyclopropane (PubChem CID 123638122) has the molecular formula C7H10 and a molecular weight of 94.16 g/mol. Its IUPAC name is 1-methylidene-2-prop-1-enylcyclopropane.

Molecular Properties

Compound Name1-methylidene-2-prop-1-enylcyclopropane
PubChem CID123638122
Molecular FormulaC7H10
Molecular Weight94.16 g/mol
Exact Mass94.08
IUPAC Name1-methylidene-2-prop-1-enylcyclopropane
SMILESC=C1CC1C=CC
InChIInChI=1S/C7H10/c1-3-4-7-5-6(7)2/h3-4,7H,2,5H2,1H3
InChIKeyOUYFAWWIUFXDRH-UHFFFAOYSA-N
XLogP2.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.16
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methylidene-2-prop-1-enylcyclopropane?
The IUPAC name of 1-methylidene-2-prop-1-enylcyclopropane (CID 123638122) is 1-methylidene-2-prop-1-enylcyclopropane.
What is the SMILES notation for 1-methylidene-2-prop-1-enylcyclopropane?
The canonical SMILES for 1-methylidene-2-prop-1-enylcyclopropane is C=C1CC1C=CC.
What is the InChIKey of 1-methylidene-2-prop-1-enylcyclopropane?
The InChIKey is OUYFAWWIUFXDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10/c1-3-4-7-5-6(7)2/h3-4,7H,2,5H2,1H3.
What are the key properties of 1-methylidene-2-prop-1-enylcyclopropane?
1-methylidene-2-prop-1-enylcyclopropane has a molecular weight of 94.16 g/mol, XLogP of 2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylidene-2-prop-1-enylcyclopropane is sourced from PubChem (CID 123638122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).