(NZ)-N-[1-(1-prop-2-enylindazol-3-yl)ethylidene]hydroxylamine

C12H13N3O — CID 135977941

IUPAC(NZ)-N-[1-(1-prop-2-enylindazol-3-yl)ethylidene]hydroxylamine
SMILESC=CCn1nc(/C(C)=N\O)c2ccccc21
InChIInChI=1S/C12H13N3O/c1-3-8-15-11-7-5-4-6-10(11)12(13-15)9(2)14-16/h3-7,16H,1,8H2,2H3/b14-9-
InChIKeyBTIGSCOGKNPZDZ-ZROIWOOFSA-N
MW215.26 g/mol
LogP2.42
Rot. Bonds3

About (NZ)-N-[1-(1-prop-2-enylindazol-3-yl)ethylidene]hydroxylamine

(NZ)-N-[1-(1-prop-2-enylindazol-3-yl)ethylidene]hydroxylamine (PubChem CID 135977941) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is (NZ)-N-[1-(1-prop-2-enylindazol-3-yl)ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[1-(1-prop-2-enylindazol-3-yl)ethylidene]hydroxylamine
PubChem CID135977941
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name(NZ)-N-[1-(1-prop-2-enylindazol-3-yl)ethylidene]hydroxylamine
SMILESC=CCn1nc(/C(C)=N\O)c2ccccc21
InChIInChI=1S/C12H13N3O/c1-3-8-15-11-7-5-4-6-10(11)12(13-15)9(2)14-16/h3-7,16H,1,8H2,2H3/b14-9-
InChIKeyBTIGSCOGKNPZDZ-ZROIWOOFSA-N
XLogP2.42
TPSA50.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(NE)-N-[1-(1-propan-2-ylindazol-3-yl)ethylidene]hydroxylamine
CID 135731507
1-but-3-enylindazole-3-carboxylic acid
CID 18695576
1-[1-[2-(dimethylamino)ethyl]indazol-3-yl]ethanone
CID 118567267
(3-acetylindazol-1-yl)methanesulfonic acid
CID 135226401
N-[2-(4-benzylpiperazin-1-yl)ethyl]-1-prop-2-enylindazole-3-carboxamide
CID 18695482
1-(2-methylprop-2-enyl)indazole-3-carboxylic acid
CID 18695551
N-methyl-1-pent-4-enylindazole-3-carboxamide
CID 169175669
3-(3-acetylindazol-1-yl)propanenitrile
CID 132942081
3,3-dimethyl-2-(1-pent-4-enylindazole-3-carbonyl)iminobutanoic acid;ethane
CID 169175726
N-[9-[(2-methoxyphenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-1-prop-2-enylindazole-3-carboxamide
CID 67845997
1-[5-(2-methylpyrimidin-5-yl)-1-prop-2-enylindazol-3-yl]ethanone
CID 146415639
1-(2-methylidenebutyl)indazole-3-carboxylic acid
CID 66045729

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[1-(1-prop-2-enylindazol-3-yl)ethylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[1-(1-prop-2-enylindazol-3-yl)ethylidene]hydroxylamine (CID 135977941) is (NZ)-N-[1-(1-prop-2-enylindazol-3-yl)ethylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[1-(1-prop-2-enylindazol-3-yl)ethylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[1-(1-prop-2-enylindazol-3-yl)ethylidene]hydroxylamine is C=CCn1nc(/C(C)=N\O)c2ccccc21.
What is the InChIKey of (NZ)-N-[1-(1-prop-2-enylindazol-3-yl)ethylidene]hydroxylamine?
The InChIKey is BTIGSCOGKNPZDZ-ZROIWOOFSA-N. The full InChI is InChI=1S/C12H13N3O/c1-3-8-15-11-7-5-4-6-10(11)12(13-15)9(2)14-16/h3-7,16H,1,8H2,2H3/b14-9-.
What are the key properties of (NZ)-N-[1-(1-prop-2-enylindazol-3-yl)ethylidene]hydroxylamine?
(NZ)-N-[1-(1-prop-2-enylindazol-3-yl)ethylidene]hydroxylamine has a molecular weight of 215.26 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[1-(1-prop-2-enylindazol-3-yl)ethylidene]hydroxylamine is sourced from PubChem (CID 135977941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).