[(E)-but-2-enyl]cyclopropane

C7H12 — CID 640652

IUPAC[(E)-but-2-enyl]cyclopropane
SMILESC/C=C/CC1CC1
InChIInChI=1S/C7H12/c1-2-3-4-7-5-6-7/h2-3,7H,4-6H2,1H3/b3-2+
InChIKeyHFWBELFXCMGIGS-NSCUHMNNSA-N
MW96.17 g/mol
LogP2.36
Rot. Bonds2

About [(E)-but-2-enyl]cyclopropane

[(E)-but-2-enyl]cyclopropane (PubChem CID 640652) has the molecular formula C7H12 and a molecular weight of 96.17 g/mol. Its IUPAC name is [(E)-but-2-enyl]cyclopropane.

Molecular Properties

Compound Name[(E)-but-2-enyl]cyclopropane
PubChem CID640652
Molecular FormulaC7H12
Molecular Weight96.17 g/mol
Exact Mass96.09
IUPAC Name[(E)-but-2-enyl]cyclopropane
SMILESC/C=C/CC1CC1
InChIInChI=1S/C7H12/c1-2-3-4-7-5-6-7/h2-3,7H,4-6H2,1H3/b3-2+
InChIKeyHFWBELFXCMGIGS-NSCUHMNNSA-N
XLogP2.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
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

3-Methylcyclopentene
CID 14263
4-Methyl-2-hexene
CID 5357249
4-Methyl-2-hexene, (Z)-
CID 5357251
5-Methyl-2-hexene
CID 5357252
4-Methylcyclopentene
CID 15658
3,5-Dimethylcyclopentene
CID 522549
trans-1-Propenylcyclopropane
CID 5364359
5-Methyl-2-hexene, (2Z)-
CID 5364850
4-Methyl-1,5-Heptadiene
CID 5365804
4-Methylhex-2-ene
CID 103002
Cyclopropane, (R,R)-1-((Z)-hex-1'-enyl)-2-ethenyl-
CID 12312966
trans-1-[(1z)-Hexenyl]-2-vinylcyclopropane
CID 16752617

Frequently Asked Questions

What is the IUPAC name of [(E)-but-2-enyl]cyclopropane?
The IUPAC name of [(E)-but-2-enyl]cyclopropane (CID 640652) is [(E)-but-2-enyl]cyclopropane.
What is the SMILES notation for [(E)-but-2-enyl]cyclopropane?
The canonical SMILES for [(E)-but-2-enyl]cyclopropane is C/C=C/CC1CC1.
What is the InChIKey of [(E)-but-2-enyl]cyclopropane?
The InChIKey is HFWBELFXCMGIGS-NSCUHMNNSA-N. The full InChI is InChI=1S/C7H12/c1-2-3-4-7-5-6-7/h2-3,7H,4-6H2,1H3/b3-2+.
What are the key properties of [(E)-but-2-enyl]cyclopropane?
[(E)-but-2-enyl]cyclopropane has a molecular weight of 96.17 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-but-2-enyl]cyclopropane is sourced from PubChem (CID 640652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).