[(Z)-4-chlorobut-2-enyl]carbamic acid

C5H8ClNO2 — CID 86674104

IUPAC[(Z)-4-chlorobut-2-enyl]carbamic acid
SMILESO=C(O)NC/C=C\CCl
InChIInChI=1S/C5H8ClNO2/c6-3-1-2-4-7-5(8)9/h1-2,7H,3-4H2,(H,8,9)/b2-1-
InChIKeyDPNUBOBESMDFIA-UPHRSURJSA-N
MW149.58 g/mol
LogP1.05
Rot. Bonds3

About [(Z)-4-chlorobut-2-enyl]carbamic acid

[(Z)-4-chlorobut-2-enyl]carbamic acid (PubChem CID 86674104) has the molecular formula C5H8ClNO2 and a molecular weight of 149.58 g/mol. Its IUPAC name is [(Z)-4-chlorobut-2-enyl]carbamic acid.

Molecular Properties

Compound Name[(Z)-4-chlorobut-2-enyl]carbamic acid
PubChem CID86674104
Molecular FormulaC5H8ClNO2
Molecular Weight149.58 g/mol
Exact Mass149.02
IUPAC Name[(Z)-4-chlorobut-2-enyl]carbamic acid
SMILESO=C(O)NC/C=C\CCl
InChIInChI=1S/C5H8ClNO2/c6-3-1-2-4-7-5(8)9/h1-2,7H,3-4H2,(H,8,9)/b2-1-
InChIKeyDPNUBOBESMDFIA-UPHRSURJSA-N
XLogP1.05
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.58
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(Z)-4-chlorobut-2-enyl]carbamic acid?
The IUPAC name of [(Z)-4-chlorobut-2-enyl]carbamic acid (CID 86674104) is [(Z)-4-chlorobut-2-enyl]carbamic acid.
What is the SMILES notation for [(Z)-4-chlorobut-2-enyl]carbamic acid?
The canonical SMILES for [(Z)-4-chlorobut-2-enyl]carbamic acid is O=C(O)NC/C=C\CCl.
What is the InChIKey of [(Z)-4-chlorobut-2-enyl]carbamic acid?
The InChIKey is DPNUBOBESMDFIA-UPHRSURJSA-N. The full InChI is InChI=1S/C5H8ClNO2/c6-3-1-2-4-7-5(8)9/h1-2,7H,3-4H2,(H,8,9)/b2-1-.
What are the key properties of [(Z)-4-chlorobut-2-enyl]carbamic acid?
[(Z)-4-chlorobut-2-enyl]carbamic acid has a molecular weight of 149.58 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-4-chlorobut-2-enyl]carbamic acid is sourced from PubChem (CID 86674104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).