2-(3-chloroprop-1-enyl)furan

C7H7ClO — CID 54215427

IUPAC2-(3-chloroprop-1-enyl)furan
SMILESClCC=Cc1ccco1
InChIInChI=1S/C7H7ClO/c8-5-1-3-7-4-2-6-9-7/h1-4,6H,5H2
InChIKeyPYVKIUFCENIJPQ-UHFFFAOYSA-N
MW142.58 g/mol
LogP2.53
Rot. Bonds2

About 2-(3-chloroprop-1-enyl)furan

2-(3-chloroprop-1-enyl)furan (PubChem CID 54215427) has the molecular formula C7H7ClO and a molecular weight of 142.58 g/mol. Its IUPAC name is 2-(3-chloroprop-1-enyl)furan.

Molecular Properties

Compound Name2-(3-chloroprop-1-enyl)furan
PubChem CID54215427
Molecular FormulaC7H7ClO
Molecular Weight142.58 g/mol
Exact Mass142.02
IUPAC Name2-(3-chloroprop-1-enyl)furan
SMILESClCC=Cc1ccco1
InChIInChI=1S/C7H7ClO/c8-5-1-3-7-4-2-6-9-7/h1-4,6H,5H2
InChIKeyPYVKIUFCENIJPQ-UHFFFAOYSA-N
XLogP2.53
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.58
LogP ≤ 52.53
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-(furan-2-yl)-N-methylprop-2-en-1-amine
CID 79347007
2-[(Z)-2-chloroethenyl]furan
CID 11389398
(E)-2-(furan-2-yl)ethenethiol
CID 87339498
2-(3,3,3-trichloroprop-1-enyl)furan
CID 56614654
N-[3-(furan-2-yl)prop-2-enyl]-2-methylpropan-2-amine
CID 79348296
butane;(E)-3-(furan-2-yl)-N-methylprop-2-en-1-amine
CID 142079105
2-[(E)-4-phenylbut-1-enyl]furan
CID 169432346
2-[(E)-2-fluoroethenyl]furan
CID 145208016
2-[(E)-2-bromoethenyl]furan
CID 10899150
2-tridec-1-enylfuran
CID 76580057
2-[(1E,3Z)-hexa-1,3-dienyl]furan
CID 102244674
2-[(E)-3-[(E)-prop-1-enoxy]prop-1-enyl]furan
CID 46939824

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloroprop-1-enyl)furan?
The IUPAC name of 2-(3-chloroprop-1-enyl)furan (CID 54215427) is 2-(3-chloroprop-1-enyl)furan.
What is the SMILES notation for 2-(3-chloroprop-1-enyl)furan?
The canonical SMILES for 2-(3-chloroprop-1-enyl)furan is ClCC=Cc1ccco1.
What is the InChIKey of 2-(3-chloroprop-1-enyl)furan?
The InChIKey is PYVKIUFCENIJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClO/c8-5-1-3-7-4-2-6-9-7/h1-4,6H,5H2.
What are the key properties of 2-(3-chloroprop-1-enyl)furan?
2-(3-chloroprop-1-enyl)furan has a molecular weight of 142.58 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloroprop-1-enyl)furan is sourced from PubChem (CID 54215427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).