(NZ)-N-[1-[4-(azidomethyl)phenyl]ethylidene]hydroxylamine

C9H10N4O — CID 59667984

IUPAC(NZ)-N-[1-[4-(azidomethyl)phenyl]ethylidene]hydroxylamine
SMILESC/C(=N/O)c1ccc(CN=[N+]=[N-])cc1
InChIInChI=1S/C9H10N4O/c1-7(12-14)9-4-2-8(3-5-9)6-11-13-10/h2-5,14H,6H2,1H3/b12-7-
InChIKeyKCIVFGRRXZTCDW-GHXNOFRVSA-N
MW190.21 g/mol
LogP2.70
Rot. Bonds3

About (NZ)-N-[1-[4-(azidomethyl)phenyl]ethylidene]hydroxylamine

(NZ)-N-[1-[4-(azidomethyl)phenyl]ethylidene]hydroxylamine (PubChem CID 59667984) has the molecular formula C9H10N4O and a molecular weight of 190.21 g/mol. Its IUPAC name is (NZ)-N-[1-[4-(azidomethyl)phenyl]ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[1-[4-(azidomethyl)phenyl]ethylidene]hydroxylamine
PubChem CID59667984
Molecular FormulaC9H10N4O
Molecular Weight190.21 g/mol
Exact Mass190.09
IUPAC Name(NZ)-N-[1-[4-(azidomethyl)phenyl]ethylidene]hydroxylamine
SMILESC/C(=N/O)c1ccc(CN=[N+]=[N-])cc1
InChIInChI=1S/C9H10N4O/c1-7(12-14)9-4-2-8(3-5-9)6-11-13-10/h2-5,14H,6H2,1H3/b12-7-
InChIKeyKCIVFGRRXZTCDW-GHXNOFRVSA-N
XLogP2.70
TPSA81.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}

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Related Compounds

1-(azidomethyl)-4-[2-[4-(azidomethyl)phenyl]-1,2-diphenylethenyl]benzene
CID 72565768
N-[[4-(azidomethyl)phenyl]methylidene]hydroxylamine
CID 76540150
1-(azidomethyl)-4-(chloromethyl)benzene
CID 102388598
1-(azidomethyl)-4-fluorobenzene
CID 11205864
1-amino-17-[(E)-1-[4-(azidomethyl)phenyl]ethylideneamino]oxyheptadecane-3,6,9,12,15-pentone
CID 175419967
(NE)-N-[1-[4-(2-methylpropyl)phenyl]ethylidene]hydroxylamine
CID 5488589
ethane;(NE)-N-[1-(4-methylphenyl)ethylidene]hydroxylamine
CID 172965019
1-(azidomethyl)-4-(1,2-diphenylethenyl)benzene
CID 141328842
1-(azidomethyl)-4-[(1-methoxycyclopropyl)methyl]benzene
CID 117109168
1-[4-(azidomethyl)phenyl]-8-hydroxyoctan-1-one
CID 159902674
13-[4-(azidomethyl)phenyl]-13-oxotridecanoic acid
CID 157274025
1-(azidomethyl)-4-propan-2-yloxybenzene
CID 151785938

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[1-[4-(azidomethyl)phenyl]ethylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[1-[4-(azidomethyl)phenyl]ethylidene]hydroxylamine (CID 59667984) is (NZ)-N-[1-[4-(azidomethyl)phenyl]ethylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[1-[4-(azidomethyl)phenyl]ethylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[1-[4-(azidomethyl)phenyl]ethylidene]hydroxylamine is C/C(=N/O)c1ccc(CN=[N+]=[N-])cc1.
What is the InChIKey of (NZ)-N-[1-[4-(azidomethyl)phenyl]ethylidene]hydroxylamine?
The InChIKey is KCIVFGRRXZTCDW-GHXNOFRVSA-N. The full InChI is InChI=1S/C9H10N4O/c1-7(12-14)9-4-2-8(3-5-9)6-11-13-10/h2-5,14H,6H2,1H3/b12-7-.
What are the key properties of (NZ)-N-[1-[4-(azidomethyl)phenyl]ethylidene]hydroxylamine?
(NZ)-N-[1-[4-(azidomethyl)phenyl]ethylidene]hydroxylamine has a molecular weight of 190.21 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[1-[4-(azidomethyl)phenyl]ethylidene]hydroxylamine is sourced from PubChem (CID 59667984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).