methyl (Z)-2-chloropent-2-enoate

C6H9ClO2 — CID 11829609

IUPACmethyl (Z)-2-chloropent-2-enoate
SMILESCC/C=C(\Cl)C(=O)OC
InChIInChI=1S/C6H9ClO2/c1-3-4-5(7)6(8)9-2/h4H,3H2,1-2H3/b5-4-
InChIKeyIQIRZVIKWYPHRS-PLNGDYQASA-N
MW148.59 g/mol
LogP1.69
Rot. Bonds2

About methyl (Z)-2-chloropent-2-enoate

methyl (Z)-2-chloropent-2-enoate (PubChem CID 11829609) has the molecular formula C6H9ClO2 and a molecular weight of 148.59 g/mol. Its IUPAC name is methyl (Z)-2-chloropent-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-2-chloropent-2-enoate
PubChem CID11829609
Molecular FormulaC6H9ClO2
Molecular Weight148.59 g/mol
Exact Mass148.03
IUPAC Namemethyl (Z)-2-chloropent-2-enoate
SMILESCC/C=C(\Cl)C(=O)OC
InChIInChI=1S/C6H9ClO2/c1-3-4-5(7)6(8)9-2/h4H,3H2,1-2H3/b5-4-
InChIKeyIQIRZVIKWYPHRS-PLNGDYQASA-N
XLogP1.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.59
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1,4-Dimethyl (2Z)-2-chloro-2-butenedioate
CID 5352849
1,4-Dimethyl (2E)-2-chloro-2-butenedioate
CID 6433737
Methyl (E)-2-chloro-2-butenoate
CID 5352850
Ethyl a-chlorocrotonate
CID 13694721
2-Chloro-but-2-enedioic acid dimethyl ester
CID 29567
2-Chloro-trans-crotonic acid ethyl ester
CID 12027426
methyl (E)-2-chloropent-2-enoate
CID 14470392
methyl (Z)-2-chloro-4-methylpent-2-enoate
CID 14470393
methyl (E)-2-chloro-4-methylpent-2-enoate
CID 14470394
methyl (Z)-2-chlorohept-2-enoate
CID 14470395
1-Chloro-1-ethoxycarbonyl-3-oxo-but-1-ene
CID 132281800
methyl (E)-4,4-dichloropent-2-enoate
CID 119097807

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-2-chloropent-2-enoate?
The IUPAC name of methyl (Z)-2-chloropent-2-enoate (CID 11829609) is methyl (Z)-2-chloropent-2-enoate.
What is the SMILES notation for methyl (Z)-2-chloropent-2-enoate?
The canonical SMILES for methyl (Z)-2-chloropent-2-enoate is CC/C=C(\Cl)C(=O)OC.
What is the InChIKey of methyl (Z)-2-chloropent-2-enoate?
The InChIKey is IQIRZVIKWYPHRS-PLNGDYQASA-N. The full InChI is InChI=1S/C6H9ClO2/c1-3-4-5(7)6(8)9-2/h4H,3H2,1-2H3/b5-4-.
What are the key properties of methyl (Z)-2-chloropent-2-enoate?
methyl (Z)-2-chloropent-2-enoate has a molecular weight of 148.59 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-2-chloropent-2-enoate is sourced from PubChem (CID 11829609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).