(E)-3-(7-methoxy-2H-indazol-3-yl)prop-2-enoate

C11H9N2O3- — CID 23071101

IUPAC(E)-3-(7-methoxy-2H-indazol-3-yl)prop-2-enoate
SMILESCOc1cccc2c(/C=C/C(=O)[O-])[nH]nc12
InChIInChI=1S/C11H10N2O3/c1-16-9-4-2-3-7-8(5-6-10(14)15)12-13-11(7)9/h2-6H,1H3,(H,12,13)(H,14,15)/p-1/b6-5+
InChIKeyXXHGZBDKTJWTTB-AATRIKPKSA-M
MW217.20 g/mol
LogP0.33
Rot. Bonds3

About (E)-3-(7-methoxy-2H-indazol-3-yl)prop-2-enoate

(E)-3-(7-methoxy-2H-indazol-3-yl)prop-2-enoate (PubChem CID 23071101) has the molecular formula C11H9N2O3- and a molecular weight of 217.20 g/mol. Its IUPAC name is (E)-3-(7-methoxy-2H-indazol-3-yl)prop-2-enoate.

Molecular Properties

Compound Name(E)-3-(7-methoxy-2H-indazol-3-yl)prop-2-enoate
PubChem CID23071101
Molecular FormulaC11H9N2O3-
Molecular Weight217.20 g/mol
Exact Mass217.06
IUPAC Name(E)-3-(7-methoxy-2H-indazol-3-yl)prop-2-enoate
SMILESCOc1cccc2c(/C=C/C(=O)[O-])[nH]nc12
InChIInChI=1S/C11H10N2O3/c1-16-9-4-2-3-7-8(5-6-10(14)15)12-13-11(7)9/h2-6H,1H3,(H,12,13)(H,14,15)/p-1/b6-5+
InChIKeyXXHGZBDKTJWTTB-AATRIKPKSA-M
XLogP0.33
TPSA78.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.20
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(7-methoxy-2H-indazol-3-yl)methanol
CID 76846319
2-(7-methoxy-2H-indazol-3-yl)ethylcarbamic acid
CID 21098791
1-(7-methoxy-2H-indazol-3-yl)ethanamine
CID 112714941
2-(7-methoxy-2H-indazol-3-yl)propan-1-amine
CID 83908733
(Z)-3-[2-[3-(dimethylazaniumyl)propoxy]-3-methoxyphenyl]prop-2-enoate
CID 42304383
(E)-3-(8-methoxy-2-methylquinolin-4-yl)prop-2-enoic acid
CID 82449680
8-methoxyquinazoline-4-carboxylic acid
CID 105455920
2-(2,6-dichlorophenyl)-8-methoxyquinoline-4-carboxylate
CID 7139771
sodium (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate
CID 139662068
(E)-3-(5-acetamido-2-methoxyphenyl)prop-2-enoate
CID 7452463
sodium (E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate
CID 66849635
1-(8-methoxy-2-methylquinazolin-4-yl)ethanone
CID 105469677

Frequently Asked Questions

What is the IUPAC name of (E)-3-(7-methoxy-2H-indazol-3-yl)prop-2-enoate?
The IUPAC name of (E)-3-(7-methoxy-2H-indazol-3-yl)prop-2-enoate (CID 23071101) is (E)-3-(7-methoxy-2H-indazol-3-yl)prop-2-enoate.
What is the SMILES notation for (E)-3-(7-methoxy-2H-indazol-3-yl)prop-2-enoate?
The canonical SMILES for (E)-3-(7-methoxy-2H-indazol-3-yl)prop-2-enoate is COc1cccc2c(/C=C/C(=O)[O-])[nH]nc12.
What is the InChIKey of (E)-3-(7-methoxy-2H-indazol-3-yl)prop-2-enoate?
The InChIKey is XXHGZBDKTJWTTB-AATRIKPKSA-M. The full InChI is InChI=1S/C11H10N2O3/c1-16-9-4-2-3-7-8(5-6-10(14)15)12-13-11(7)9/h2-6H,1H3,(H,12,13)(H,14,15)/p-1/b6-5+.
What are the key properties of (E)-3-(7-methoxy-2H-indazol-3-yl)prop-2-enoate?
(E)-3-(7-methoxy-2H-indazol-3-yl)prop-2-enoate has a molecular weight of 217.20 g/mol, XLogP of 0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(7-methoxy-2H-indazol-3-yl)prop-2-enoate is sourced from PubChem (CID 23071101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).