1-prop-1-enylbicyclo[1.1.0]butane

C7H10 — CID 91031685

IUPAC1-prop-1-enylbicyclo[1.1.0]butane
SMILESCC=CC12CC1C2
InChIInChI=1S/C7H10/c1-2-3-7-4-6(7)5-7/h2-3,6H,4-5H2,1H3
InChIKeyCDTQKGWXWUHAQH-UHFFFAOYSA-N
MW94.16 g/mol
LogP1.97
Rot. Bonds1

About 1-prop-1-enylbicyclo[1.1.0]butane

1-prop-1-enylbicyclo[1.1.0]butane (PubChem CID 91031685) has the molecular formula C7H10 and a molecular weight of 94.16 g/mol. Its IUPAC name is 1-prop-1-enylbicyclo[1.1.0]butane.

Molecular Properties

Compound Name1-prop-1-enylbicyclo[1.1.0]butane
PubChem CID91031685
Molecular FormulaC7H10
Molecular Weight94.16 g/mol
Exact Mass94.08
IUPAC Name1-prop-1-enylbicyclo[1.1.0]butane
SMILESCC=CC12CC1C2
InChIInChI=1S/C7H10/c1-2-3-7-4-6(7)5-7/h2-3,6H,4-5H2,1H3
InChIKeyCDTQKGWXWUHAQH-UHFFFAOYSA-N
XLogP1.97
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 ≤ 51.97
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

1-[(Z)-prop-1-enyl]-2-oxabicyclo[3.1.0]hexane
CID 57429844
1-[(Z)-prop-1-enyl]-3-[3-[(Z)-prop-1-enyl]-1-adamantyl]adamantane
CID 173113583
1,2,3-trimethyl-1-prop-1-enylcyclopropane
CID 123492545
5-prop-1-enyladamantane-1,3-diol
CID 141223599
2-methyl-2-prop-1-enylcyclopropane-1-carbonyl chloride
CID 57357803
9,9-dioxo-3-[(Z)-prop-1-enyl]-9λ6-thiabicyclo[3.3.1]nonan-3-ol
CID 171953211
9-methyl-3-[(Z)-prop-1-enyl]-9-azabicyclo[3.3.1]nonan-3-ol
CID 171953204
(1S)-1-[(1R)-2,2-dimethylcyclopropyl]ethanamine
CID 90067113
2,3-dimethyl-2-prop-1-enyloxirane
CID 131852700
1-ethenyl-1-[(E)-prop-1-enyl]cyclopropane
CID 154715769
1-[(E)-prop-1-enyl]cycloundecan-1-ol
CID 134894684
2-methyl-2-[(E)-prop-1-enyl]-1,3-dioxolane
CID 10855469

Frequently Asked Questions

What is the IUPAC name of 1-prop-1-enylbicyclo[1.1.0]butane?
The IUPAC name of 1-prop-1-enylbicyclo[1.1.0]butane (CID 91031685) is 1-prop-1-enylbicyclo[1.1.0]butane.
What is the SMILES notation for 1-prop-1-enylbicyclo[1.1.0]butane?
The canonical SMILES for 1-prop-1-enylbicyclo[1.1.0]butane is CC=CC12CC1C2.
What is the InChIKey of 1-prop-1-enylbicyclo[1.1.0]butane?
The InChIKey is CDTQKGWXWUHAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10/c1-2-3-7-4-6(7)5-7/h2-3,6H,4-5H2,1H3.
What are the key properties of 1-prop-1-enylbicyclo[1.1.0]butane?
1-prop-1-enylbicyclo[1.1.0]butane has a molecular weight of 94.16 g/mol, XLogP of 1.97, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-1-enylbicyclo[1.1.0]butane is sourced from PubChem (CID 91031685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).