(2-amino-6-chlorophenyl) prop-2-enoate

C9H8ClNO2 — CID 135356842

IUPAC(2-amino-6-chlorophenyl) prop-2-enoate
SMILESC=CC(=O)Oc1c(N)cccc1Cl
InChIInChI=1S/C9H8ClNO2/c1-2-8(12)13-9-6(10)4-3-5-7(9)11/h2-5H,1,11H2
InChIKeyYLIAYPFBXQQBTI-UHFFFAOYSA-N
MW197.62 g/mol
LogP2.01
Rot. Bonds2

About (2-amino-6-chlorophenyl) prop-2-enoate

(2-amino-6-chlorophenyl) prop-2-enoate (PubChem CID 135356842) has the molecular formula C9H8ClNO2 and a molecular weight of 197.62 g/mol. Its IUPAC name is (2-amino-6-chlorophenyl) prop-2-enoate.

Molecular Properties

Compound Name(2-amino-6-chlorophenyl) prop-2-enoate
PubChem CID135356842
Molecular FormulaC9H8ClNO2
Molecular Weight197.62 g/mol
Exact Mass197.02
IUPAC Name(2-amino-6-chlorophenyl) prop-2-enoate
SMILESC=CC(=O)Oc1c(N)cccc1Cl
InChIInChI=1S/C9H8ClNO2/c1-2-8(12)13-9-6(10)4-3-5-7(9)11/h2-5H,1,11H2
InChIKeyYLIAYPFBXQQBTI-UHFFFAOYSA-N
XLogP2.01
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.62
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2,6-dibromophenyl) prop-2-enoate
CID 91415970
[3-(2-chlorophenyl)phenyl] prop-2-enoate
CID 174588124
(6-amino-3-bromo-2-fluorophenyl) prop-2-enoate
CID 175393797
tert-butyl N-(2-amino-6-chlorophenoxy)carbonylcarbamate
CID 170155819
(3-chlorophenyl) prop-2-enoate
CID 10241458
3,5-dichloro-4-prop-2-enoyloxybenzoic acid
CID 146222722
3-chloro-2-methoxyaniline;hydrochloride
CID 17233805
(2-amino-6-chloro-4-methoxynaphthalen-1-yl) prop-2-enoate
CID 163406664
(4,7-diaminonaphthalen-1-yl) prop-2-enoate
CID 141212743
(4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate
CID 70427728
phenyl prop-2-enoate;triphenylene
CID 159225619
[3,5-dichloro-4-(2,6-dichloro-4-prop-2-enoyloxyphenyl)phenyl] prop-2-enoate
CID 70544531

Frequently Asked Questions

What is the IUPAC name of (2-amino-6-chlorophenyl) prop-2-enoate?
The IUPAC name of (2-amino-6-chlorophenyl) prop-2-enoate (CID 135356842) is (2-amino-6-chlorophenyl) prop-2-enoate.
What is the SMILES notation for (2-amino-6-chlorophenyl) prop-2-enoate?
The canonical SMILES for (2-amino-6-chlorophenyl) prop-2-enoate is C=CC(=O)Oc1c(N)cccc1Cl.
What is the InChIKey of (2-amino-6-chlorophenyl) prop-2-enoate?
The InChIKey is YLIAYPFBXQQBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNO2/c1-2-8(12)13-9-6(10)4-3-5-7(9)11/h2-5H,1,11H2.
What are the key properties of (2-amino-6-chlorophenyl) prop-2-enoate?
(2-amino-6-chlorophenyl) prop-2-enoate has a molecular weight of 197.62 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-6-chlorophenyl) prop-2-enoate is sourced from PubChem (CID 135356842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).