2-[(E)-3-chlorobut-1-enyl]-5-(2-methylcyclopropyl)furan

C12H15ClO — CID 130539081

IUPAC2-[(E)-3-chlorobut-1-enyl]-5-(2-methylcyclopropyl)furan
SMILESCC(Cl)/C=C/c1ccc(C2CC2C)o1
InChIInChI=1S/C12H15ClO/c1-8-7-11(8)12-6-5-10(14-12)4-3-9(2)13/h3-6,8-9,11H,7H2,1-2H3/b4-3+
InChIKeyJPQOLYGMOOGYGD-ONEGZZNKSA-N
MW210.70 g/mol
LogP4.04
Rot. Bonds3

About 2-[(E)-3-chlorobut-1-enyl]-5-(2-methylcyclopropyl)furan

2-[(E)-3-chlorobut-1-enyl]-5-(2-methylcyclopropyl)furan (PubChem CID 130539081) has the molecular formula C12H15ClO and a molecular weight of 210.70 g/mol. Its IUPAC name is 2-[(E)-3-chlorobut-1-enyl]-5-(2-methylcyclopropyl)furan.

Molecular Properties

Compound Name2-[(E)-3-chlorobut-1-enyl]-5-(2-methylcyclopropyl)furan
PubChem CID130539081
Molecular FormulaC12H15ClO
Molecular Weight210.70 g/mol
Exact Mass210.08
IUPAC Name2-[(E)-3-chlorobut-1-enyl]-5-(2-methylcyclopropyl)furan
SMILESCC(Cl)/C=C/c1ccc(C2CC2C)o1
InChIInChI=1S/C12H15ClO/c1-8-7-11(8)12-6-5-10(14-12)4-3-9(2)13/h3-6,8-9,11H,7H2,1-2H3/b4-3+
InChIKeyJPQOLYGMOOGYGD-ONEGZZNKSA-N
XLogP4.04
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.70
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(5-Methyl-2-furyl)butanal
CID 3578033
2-Methyl-5-propylfuran
CID 5191689
(E)-6-Methyl-6-(5-methyl-2-furanyl)-3-hepten-2-one
CID 21767560
2-Methyl-5-(1-methylethyl)furan
CID 10678230
2-(2-Methylcyclopropyl)furan
CID 16226805
2,5-Di-tert-butylfuran
CID 138352
6-Methyl-6-(5-methylfuran-2-yl)heptan-2-one
CID 579180
2,5-Diethylfuran
CID 6428556
(2E)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enoic acid
CID 16227021
3-[5-(2-Methylcyclopropyl)furan-2-yl]propanoic acid
CID 16227022
2-Pentanone, 4-methyl-4-(5-methyl-2-furanyl)-
CID 3015588
2-Butyl-5-methylfuran
CID 3333144

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-3-chlorobut-1-enyl]-5-(2-methylcyclopropyl)furan?
The IUPAC name of 2-[(E)-3-chlorobut-1-enyl]-5-(2-methylcyclopropyl)furan (CID 130539081) is 2-[(E)-3-chlorobut-1-enyl]-5-(2-methylcyclopropyl)furan.
What is the SMILES notation for 2-[(E)-3-chlorobut-1-enyl]-5-(2-methylcyclopropyl)furan?
The canonical SMILES for 2-[(E)-3-chlorobut-1-enyl]-5-(2-methylcyclopropyl)furan is CC(Cl)/C=C/c1ccc(C2CC2C)o1.
What is the InChIKey of 2-[(E)-3-chlorobut-1-enyl]-5-(2-methylcyclopropyl)furan?
The InChIKey is JPQOLYGMOOGYGD-ONEGZZNKSA-N. The full InChI is InChI=1S/C12H15ClO/c1-8-7-11(8)12-6-5-10(14-12)4-3-9(2)13/h3-6,8-9,11H,7H2,1-2H3/b4-3+.
What are the key properties of 2-[(E)-3-chlorobut-1-enyl]-5-(2-methylcyclopropyl)furan?
2-[(E)-3-chlorobut-1-enyl]-5-(2-methylcyclopropyl)furan has a molecular weight of 210.70 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3-chlorobut-1-enyl]-5-(2-methylcyclopropyl)furan is sourced from PubChem (CID 130539081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).