(3Z)-3-(1H-pyrrol-2-ylmethylidene)-5-(2H-tetrazol-5-yl)-1H-indol-2-one

C14H10N6O — CID 135559137

IUPAC(3Z)-3-(1H-pyrrol-2-ylmethylidene)-5-(2H-tetrazol-5-yl)-1H-indol-2-one
SMILESO=C1Nc2ccc(-c3nn[nH]n3)cc2/C1=C/c1ccc[nH]1
InChIInChI=1S/C14H10N6O/c21-14-11(7-9-2-1-5-15-9)10-6-8(3-4-12(10)16-14)13-17-19-20-18-13/h1-7,15H,(H,16,21)(H,17,18,19,20)/b11-7-
InChIKeyWYEOXEUURLDAGK-XFFZJAGNSA-N
MW278.28 g/mol
LogP1.69
Rot. Bonds2

About (3Z)-3-(1H-pyrrol-2-ylmethylidene)-5-(2H-tetrazol-5-yl)-1H-indol-2-one

(3Z)-3-(1H-pyrrol-2-ylmethylidene)-5-(2H-tetrazol-5-yl)-1H-indol-2-one (PubChem CID 135559137) has the molecular formula C14H10N6O and a molecular weight of 278.28 g/mol. Its IUPAC name is (3Z)-3-(1H-pyrrol-2-ylmethylidene)-5-(2H-tetrazol-5-yl)-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-3-(1H-pyrrol-2-ylmethylidene)-5-(2H-tetrazol-5-yl)-1H-indol-2-one
PubChem CID135559137
Molecular FormulaC14H10N6O
Molecular Weight278.28 g/mol
Exact Mass278.09
IUPAC Name(3Z)-3-(1H-pyrrol-2-ylmethylidene)-5-(2H-tetrazol-5-yl)-1H-indol-2-one
SMILESO=C1Nc2ccc(-c3nn[nH]n3)cc2/C1=C/c1ccc[nH]1
InChIInChI=1S/C14H10N6O/c21-14-11(7-9-2-1-5-15-9)10-6-8(3-4-12(10)16-14)13-17-19-20-18-13/h1-7,15H,(H,16,21)(H,17,18,19,20)/b11-7-
InChIKeyWYEOXEUURLDAGK-XFFZJAGNSA-N
XLogP1.69
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-(1H-pyrrol-2-ylmethylidene)-5-(2H-tetrazol-5-yl)-1H-indol-2-one?
The IUPAC name of (3Z)-3-(1H-pyrrol-2-ylmethylidene)-5-(2H-tetrazol-5-yl)-1H-indol-2-one (CID 135559137) is (3Z)-3-(1H-pyrrol-2-ylmethylidene)-5-(2H-tetrazol-5-yl)-1H-indol-2-one.
What is the SMILES notation for (3Z)-3-(1H-pyrrol-2-ylmethylidene)-5-(2H-tetrazol-5-yl)-1H-indol-2-one?
The canonical SMILES for (3Z)-3-(1H-pyrrol-2-ylmethylidene)-5-(2H-tetrazol-5-yl)-1H-indol-2-one is O=C1Nc2ccc(-c3nn[nH]n3)cc2/C1=C/c1ccc[nH]1.
What is the InChIKey of (3Z)-3-(1H-pyrrol-2-ylmethylidene)-5-(2H-tetrazol-5-yl)-1H-indol-2-one?
The InChIKey is WYEOXEUURLDAGK-XFFZJAGNSA-N. The full InChI is InChI=1S/C14H10N6O/c21-14-11(7-9-2-1-5-15-9)10-6-8(3-4-12(10)16-14)13-17-19-20-18-13/h1-7,15H,(H,16,21)(H,17,18,19,20)/b11-7-.
What are the key properties of (3Z)-3-(1H-pyrrol-2-ylmethylidene)-5-(2H-tetrazol-5-yl)-1H-indol-2-one?
(3Z)-3-(1H-pyrrol-2-ylmethylidene)-5-(2H-tetrazol-5-yl)-1H-indol-2-one has a molecular weight of 278.28 g/mol, XLogP of 1.69, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(1H-pyrrol-2-ylmethylidene)-5-(2H-tetrazol-5-yl)-1H-indol-2-one is sourced from PubChem (CID 135559137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).