methyl (Z)-2-azido-3-(4-chlorophenyl)prop-2-enoate

C10H8ClN3O2 — CID 13399245

IUPACmethyl (Z)-2-azido-3-(4-chlorophenyl)prop-2-enoate
SMILESCOC(=O)/C(=C/c1ccc(Cl)cc1)N=[N+]=[N-]
InChIInChI=1S/C10H8ClN3O2/c1-16-10(15)9(13-14-12)6-7-2-4-8(11)5-3-7/h2-6H,1H3/b9-6-
InChIKeyMVNZEYPDIDPWHW-TWGQIWQCSA-N
MW237.65 g/mol
LogP3.16
Rot. Bonds3

About methyl (Z)-2-azido-3-(4-chlorophenyl)prop-2-enoate

methyl (Z)-2-azido-3-(4-chlorophenyl)prop-2-enoate (PubChem CID 13399245) has the molecular formula C10H8ClN3O2 and a molecular weight of 237.65 g/mol. Its IUPAC name is methyl (Z)-2-azido-3-(4-chlorophenyl)prop-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-2-azido-3-(4-chlorophenyl)prop-2-enoate
PubChem CID13399245
Molecular FormulaC10H8ClN3O2
Molecular Weight237.65 g/mol
Exact Mass237.03
IUPAC Namemethyl (Z)-2-azido-3-(4-chlorophenyl)prop-2-enoate
SMILESCOC(=O)/C(=C/c1ccc(Cl)cc1)N=[N+]=[N-]
InChIInChI=1S/C10H8ClN3O2/c1-16-10(15)9(13-14-12)6-7-2-4-8(11)5-3-7/h2-6H,1H3/b9-6-
InChIKeyMVNZEYPDIDPWHW-TWGQIWQCSA-N
XLogP3.16
TPSA75.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.65
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

methyl 2-azido-3-(4-methylsulfanylphenyl)prop-2-enoate
CID 54530667
methyl (Z)-2-azido-3-(2-chlorophenyl)prop-2-enoate
CID 71567268
methyl (E)-2-azido-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]prop-2-enoate
CID 86591895
methyl (2Z,4Z)-2-azido-4-chloro-5-phenylpenta-2,4-dienoate
CID 101450831
methyl 2-azido-3-(2,4-dichloro-5-fluorophenyl)prop-2-enoate
CID 162386444
(Z)-2-azido-1-(4-bromophenyl)-3-(4-chlorophenyl)prop-2-en-1-one
CID 102102284
ethyl 2-azido-3-(4-methylphenyl)prop-2-enoate
CID 72739560
ethyl (Z)-2-azido-3-(4-methoxyphenyl)prop-2-enoate
CID 15445354
methyl (E)-2-azido-3-[3-bromo-4-(3,4-dichlorophenyl)sulfanylphenyl]prop-2-enoate
CID 135358697
methyl (Z)-2-azido-3-(2-propan-2-ylphenyl)prop-2-enoate
CID 155259038
ethyl (Z)-2-azido-3-(3-chloro-4-methoxyphenyl)prop-2-enoate
CID 130420505
methyl (E)-2-azido-3-(2-chloro-4-phenoxyphenyl)prop-2-enoate
CID 135358693

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-2-azido-3-(4-chlorophenyl)prop-2-enoate?
The IUPAC name of methyl (Z)-2-azido-3-(4-chlorophenyl)prop-2-enoate (CID 13399245) is methyl (Z)-2-azido-3-(4-chlorophenyl)prop-2-enoate.
What is the SMILES notation for methyl (Z)-2-azido-3-(4-chlorophenyl)prop-2-enoate?
The canonical SMILES for methyl (Z)-2-azido-3-(4-chlorophenyl)prop-2-enoate is COC(=O)/C(=C/c1ccc(Cl)cc1)N=[N+]=[N-].
What is the InChIKey of methyl (Z)-2-azido-3-(4-chlorophenyl)prop-2-enoate?
The InChIKey is MVNZEYPDIDPWHW-TWGQIWQCSA-N. The full InChI is InChI=1S/C10H8ClN3O2/c1-16-10(15)9(13-14-12)6-7-2-4-8(11)5-3-7/h2-6H,1H3/b9-6-.
What are the key properties of methyl (Z)-2-azido-3-(4-chlorophenyl)prop-2-enoate?
methyl (Z)-2-azido-3-(4-chlorophenyl)prop-2-enoate has a molecular weight of 237.65 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-2-azido-3-(4-chlorophenyl)prop-2-enoate is sourced from PubChem (CID 13399245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).