2-[[(2E,4Z)-hepta-2,4-dien-3-yl]amino]-1H-indazol-3-one

C14H17N3O — CID 143697713

IUPAC2-[[(2E,4Z)-hepta-2,4-dien-3-yl]amino]-1H-indazol-3-one
SMILESC/C=C(\C=C/CC)Nn1[nH]c2ccccc2c1=O
InChIInChI=1S/C14H17N3O/c1-3-5-8-11(4-2)15-17-14(18)12-9-6-7-10-13(12)16-17/h4-10,15-16H,3H2,1-2H3/b8-5-,11-4+
InChIKeyQESYELAUTWZARP-CDXXIHCBSA-N
MW243.31 g/mol
LogP2.74
Rot. Bonds4

About 2-[[(2E,4Z)-hepta-2,4-dien-3-yl]amino]-1H-indazol-3-one

2-[[(2E,4Z)-hepta-2,4-dien-3-yl]amino]-1H-indazol-3-one (PubChem CID 143697713) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-[[(2E,4Z)-hepta-2,4-dien-3-yl]amino]-1H-indazol-3-one.

Molecular Properties

Compound Name2-[[(2E,4Z)-hepta-2,4-dien-3-yl]amino]-1H-indazol-3-one
PubChem CID143697713
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name2-[[(2E,4Z)-hepta-2,4-dien-3-yl]amino]-1H-indazol-3-one
SMILESC/C=C(\C=C/CC)Nn1[nH]c2ccccc2c1=O
InChIInChI=1S/C14H17N3O/c1-3-5-8-11(4-2)15-17-14(18)12-9-6-7-10-13(12)16-17/h4-10,15-16H,3H2,1-2H3/b8-5-,11-4+
InChIKeyQESYELAUTWZARP-CDXXIHCBSA-N
XLogP2.74
TPSA49.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[[(2E,4Z)-hepta-2,4-dien-3-yl]amino]-1H-indazol-3-one with MolForge

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Related Compounds

2-anilino-1H-indazol-3-one
CID 3409488
2-propanoyl-1H-indazol-3-one
CID 14947978
ethane;(2E,4Z)-N-(3-phenylprop-1-en-2-yl)hepta-2,4-dien-3-amine
CID 142957611
2-(1-hydroxypropan-2-yl)-1H-indazol-3-one
CID 90945721
ethane;N-[(2E,4Z)-hepta-2,4-dien-3-yl]acetamide
CID 143175455
4-[(E)-but-1-enyl]-3-hydroxy-1H-quinolin-2-one
CID 142398582
3-[(Z)-2-ethylbutylideneamino]-2-sulfanylidene-1H-quinazolin-4-one
CID 9031579
4-dibenzothiophen-2-yl-N-[(2E,4Z)-hepta-2,4-dien-3-yl]aniline
CID 166879246
2-(thiophen-2-ylmethyl)-1H-indazol-3-one
CID 14898713
2-(4-methylpiperidine-1-carbonyl)-1H-indazol-3-one
CID 67082076
ethyl 2-(3-oxo-1H-indazol-2-yl)-3-phenylpropanoate
CID 134085790
(3-oxo-1H-indazol-2-yl) N-[(3,4,5-trimethoxyphenyl)methyl]carbamate
CID 68840449

Frequently Asked Questions

What is the IUPAC name of 2-[[(2E,4Z)-hepta-2,4-dien-3-yl]amino]-1H-indazol-3-one?
The IUPAC name of 2-[[(2E,4Z)-hepta-2,4-dien-3-yl]amino]-1H-indazol-3-one (CID 143697713) is 2-[[(2E,4Z)-hepta-2,4-dien-3-yl]amino]-1H-indazol-3-one.
What is the SMILES notation for 2-[[(2E,4Z)-hepta-2,4-dien-3-yl]amino]-1H-indazol-3-one?
The canonical SMILES for 2-[[(2E,4Z)-hepta-2,4-dien-3-yl]amino]-1H-indazol-3-one is C/C=C(\C=C/CC)Nn1[nH]c2ccccc2c1=O.
What is the InChIKey of 2-[[(2E,4Z)-hepta-2,4-dien-3-yl]amino]-1H-indazol-3-one?
The InChIKey is QESYELAUTWZARP-CDXXIHCBSA-N. The full InChI is InChI=1S/C14H17N3O/c1-3-5-8-11(4-2)15-17-14(18)12-9-6-7-10-13(12)16-17/h4-10,15-16H,3H2,1-2H3/b8-5-,11-4+.
What are the key properties of 2-[[(2E,4Z)-hepta-2,4-dien-3-yl]amino]-1H-indazol-3-one?
2-[[(2E,4Z)-hepta-2,4-dien-3-yl]amino]-1H-indazol-3-one has a molecular weight of 243.31 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2E,4Z)-hepta-2,4-dien-3-yl]amino]-1H-indazol-3-one is sourced from PubChem (CID 143697713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).