methyl (Z)-2-azido-3-(2-propan-2-ylphenyl)prop-2-enoate

C13H15N3O2 — CID 155259038

IUPACmethyl (Z)-2-azido-3-(2-propan-2-ylphenyl)prop-2-enoate
SMILESCOC(=O)/C(=C/c1ccccc1C(C)C)N=[N+]=[N-]
InChIInChI=1S/C13H15N3O2/c1-9(2)11-7-5-4-6-10(11)8-12(15-16-14)13(17)18-3/h4-9H,1-3H3/b12-8-
InChIKeyKECXXPKSNNEQFJ-WQLSENKSSA-N
MW245.28 g/mol
LogP3.63
Rot. Bonds4

About methyl (Z)-2-azido-3-(2-propan-2-ylphenyl)prop-2-enoate

methyl (Z)-2-azido-3-(2-propan-2-ylphenyl)prop-2-enoate (PubChem CID 155259038) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is methyl (Z)-2-azido-3-(2-propan-2-ylphenyl)prop-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-2-azido-3-(2-propan-2-ylphenyl)prop-2-enoate
PubChem CID155259038
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Namemethyl (Z)-2-azido-3-(2-propan-2-ylphenyl)prop-2-enoate
SMILESCOC(=O)/C(=C/c1ccccc1C(C)C)N=[N+]=[N-]
InChIInChI=1S/C13H15N3O2/c1-9(2)11-7-5-4-6-10(11)8-12(15-16-14)13(17)18-3/h4-9H,1-3H3/b12-8-
InChIKeyKECXXPKSNNEQFJ-WQLSENKSSA-N
XLogP3.63
TPSA75.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 53.63
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'}

Analyze methyl (Z)-2-azido-3-(2-propan-2-ylphenyl)prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (Z)-2-azido-3-(2-chlorophenyl)prop-2-enoate
CID 71567268
methyl 2-azido-3-(2-ethoxyphenyl)prop-2-enoate
CID 86587267
methyl (E)-2-azido-3-(2-chloro-4-phenoxyphenyl)prop-2-enoate
CID 135358693
methyl (Z)-2-azido-3-(4-methylsulfanyl-3-pyridinyl)prop-2-enoate
CID 134971768
CID 161317509
CID 161317509
methyl (Z)-2-azido-3-(4-chlorophenyl)prop-2-enoate
CID 13399245
methyl (E)-2-azido-3-(3,4-dichloro-2-phenoxyphenyl)prop-2-enoate
CID 135358812
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
methyl (2E,4E)-2-azido-5-phenylpenta-2,4-dienoate
CID 6376749
methyl 2-azido-3-(4-methylsulfanylphenyl)prop-2-enoate
CID 54530667
ethyl (Z)-3-(2-acetylphenyl)-2-azidoprop-2-enoate
CID 134868996

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-2-azido-3-(2-propan-2-ylphenyl)prop-2-enoate?
The IUPAC name of methyl (Z)-2-azido-3-(2-propan-2-ylphenyl)prop-2-enoate (CID 155259038) is methyl (Z)-2-azido-3-(2-propan-2-ylphenyl)prop-2-enoate.
What is the SMILES notation for methyl (Z)-2-azido-3-(2-propan-2-ylphenyl)prop-2-enoate?
The canonical SMILES for methyl (Z)-2-azido-3-(2-propan-2-ylphenyl)prop-2-enoate is COC(=O)/C(=C/c1ccccc1C(C)C)N=[N+]=[N-].
What is the InChIKey of methyl (Z)-2-azido-3-(2-propan-2-ylphenyl)prop-2-enoate?
The InChIKey is KECXXPKSNNEQFJ-WQLSENKSSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-9(2)11-7-5-4-6-10(11)8-12(15-16-14)13(17)18-3/h4-9H,1-3H3/b12-8-.
What are the key properties of methyl (Z)-2-azido-3-(2-propan-2-ylphenyl)prop-2-enoate?
methyl (Z)-2-azido-3-(2-propan-2-ylphenyl)prop-2-enoate has a molecular weight of 245.28 g/mol, XLogP of 3.63, 4 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-(2-propan-2-ylphenyl)prop-2-enoate is sourced from PubChem (CID 155259038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).