[4-[(hydrazinylmethylideneamino)methyl]phenyl] naphthalen-2-yl carbonate

C19H17N3O3 — CID 155547866

IUPAC[4-[(hydrazinylmethylideneamino)methyl]phenyl] naphthalen-2-yl carbonate
SMILESNN/C=N/Cc1ccc(OC(=O)Oc2ccc3ccccc3c2)cc1
InChIInChI=1S/C19H17N3O3/c20-22-13-21-12-14-5-8-17(9-6-14)24-19(23)25-18-10-7-15-3-1-2-4-16(15)11-18/h1-11,13H,12,20H2,(H,21,22)
InChIKeyCLZUILRKJGVSGQ-UHFFFAOYSA-N
MW335.36 g/mol
LogP3.41
Rot. Bonds5

About [4-[(hydrazinylmethylideneamino)methyl]phenyl] naphthalen-2-yl carbonate

[4-[(hydrazinylmethylideneamino)methyl]phenyl] naphthalen-2-yl carbonate (PubChem CID 155547866) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is [4-[(hydrazinylmethylideneamino)methyl]phenyl] naphthalen-2-yl carbonate.

Molecular Properties

Compound Name[4-[(hydrazinylmethylideneamino)methyl]phenyl] naphthalen-2-yl carbonate
PubChem CID155547866
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name[4-[(hydrazinylmethylideneamino)methyl]phenyl] naphthalen-2-yl carbonate
SMILESNN/C=N/Cc1ccc(OC(=O)Oc2ccc3ccccc3c2)cc1
InChIInChI=1S/C19H17N3O3/c20-22-13-21-12-14-5-8-17(9-6-14)24-19(23)25-18-10-7-15-3-1-2-4-16(15)11-18/h1-11,13H,12,20H2,(H,21,22)
InChIKeyCLZUILRKJGVSGQ-UHFFFAOYSA-N
XLogP3.41
TPSA85.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

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Related Compounds

[4-(aminomethyl)phenyl] naphthalen-2-yl carbonate
CID 86295383
bis(bis[4-(4-naphthalen-2-ylphenyl)phenyl] carbonate);carbonic acid
CID 174756889
naphthalen-2-yl 3-aminopropanoate
CID 82113672
dinaphthalen-2-yl (2R,3R)-2,3-dihydroxybutanedioate
CID 139091149
naphthalen-2-yl trichloromethyl carbonate
CID 141321648
naphthalen-2-yl 4-(acetamidomethyl)benzoate
CID 43030693
2-[4-(naphthalen-2-yloxymethyl)phenyl]acetic acid
CID 20984477
naphthalen-2-yl N-prop-2-enylcarbamate
CID 71396312
3-(naphthalen-2-yloxycarbonylamino)propanoic acid
CID 82300933
(2R)-N'-[2-(4-methoxyphenyl)acetyl]-2-naphthalen-2-yloxypropanehydrazide
CID 7927347
4-O-(4-methoxyphenyl) 1-O-(naphthalen-2-ylmethyl) (E)-but-2-enedioate
CID 91717170
3-benzylimino-1-naphthalen-2-ylpropan-1-one
CID 91463586

Frequently Asked Questions

What is the IUPAC name of [4-[(hydrazinylmethylideneamino)methyl]phenyl] naphthalen-2-yl carbonate?
The IUPAC name of [4-[(hydrazinylmethylideneamino)methyl]phenyl] naphthalen-2-yl carbonate (CID 155547866) is [4-[(hydrazinylmethylideneamino)methyl]phenyl] naphthalen-2-yl carbonate.
What is the SMILES notation for [4-[(hydrazinylmethylideneamino)methyl]phenyl] naphthalen-2-yl carbonate?
The canonical SMILES for [4-[(hydrazinylmethylideneamino)methyl]phenyl] naphthalen-2-yl carbonate is NN/C=N/Cc1ccc(OC(=O)Oc2ccc3ccccc3c2)cc1.
What is the InChIKey of [4-[(hydrazinylmethylideneamino)methyl]phenyl] naphthalen-2-yl carbonate?
The InChIKey is CLZUILRKJGVSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c20-22-13-21-12-14-5-8-17(9-6-14)24-19(23)25-18-10-7-15-3-1-2-4-16(15)11-18/h1-11,13H,12,20H2,(H,21,22).
What are the key properties of [4-[(hydrazinylmethylideneamino)methyl]phenyl] naphthalen-2-yl carbonate?
[4-[(hydrazinylmethylideneamino)methyl]phenyl] naphthalen-2-yl carbonate has a molecular weight of 335.36 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(hydrazinylmethylideneamino)methyl]phenyl] naphthalen-2-yl carbonate is sourced from PubChem (CID 155547866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).