1-[(3,4-dihydro-2H-pyrrol-5-ylhydrazinylidene)methyl]naphthalen-2-ol

C15H15N3O — CID 2322941

IUPAC1-[(3,4-dihydro-2H-pyrrol-5-ylhydrazinylidene)methyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1C=NNC1=NCCC1
InChIInChI=1S/C15H15N3O/c19-14-8-7-11-4-1-2-5-12(11)13(14)10-17-18-15-6-3-9-16-15/h1-2,4-5,7-8,10,19H,3,6,9H2,(H,16,18)
InChIKeyVWMDJYBHYMNBJE-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.66
Rot. Bonds2

About 1-[(3,4-dihydro-2H-pyrrol-5-ylhydrazinylidene)methyl]naphthalen-2-ol

1-[(3,4-dihydro-2H-pyrrol-5-ylhydrazinylidene)methyl]naphthalen-2-ol (PubChem CID 2322941) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 1-[(3,4-dihydro-2H-pyrrol-5-ylhydrazinylidene)methyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(3,4-dihydro-2H-pyrrol-5-ylhydrazinylidene)methyl]naphthalen-2-ol
PubChem CID2322941
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name1-[(3,4-dihydro-2H-pyrrol-5-ylhydrazinylidene)methyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1C=NNC1=NCCC1
InChIInChI=1S/C15H15N3O/c19-14-8-7-11-4-1-2-5-12(11)13(14)10-17-18-15-6-3-9-16-15/h1-2,4-5,7-8,10,19H,3,6,9H2,(H,16,18)
InChIKeyVWMDJYBHYMNBJE-UHFFFAOYSA-N
XLogP2.66
TPSA56.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1,3-bis[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]urea
CID 136829549
1,3-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]urea
CID 135533440
N,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanediamide
CID 135615439
3-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)benzenesulfonamide
CID 135595779
N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 135875328
N,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]hexanediamide
CID 135616078
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide
CID 172961658
1-[(Z)-(quinolin-8-ylhydrazinylidene)methyl]naphthalen-2-ol
CID 136913864
N,N'-bis[(2-hydroxynaphthalen-1-yl)methylideneamino]heptanediamide
CID 3500050
methyl N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]carbamate
CID 135588910
N'-[(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide
CID 2643236
1-[[(5,6-diphenyl-1,2,4-triazin-3-yl)hydrazinylidene]methyl]naphthalen-2-ol
CID 2848301

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dihydro-2H-pyrrol-5-ylhydrazinylidene)methyl]naphthalen-2-ol?
The IUPAC name of 1-[(3,4-dihydro-2H-pyrrol-5-ylhydrazinylidene)methyl]naphthalen-2-ol (CID 2322941) is 1-[(3,4-dihydro-2H-pyrrol-5-ylhydrazinylidene)methyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(3,4-dihydro-2H-pyrrol-5-ylhydrazinylidene)methyl]naphthalen-2-ol?
The canonical SMILES for 1-[(3,4-dihydro-2H-pyrrol-5-ylhydrazinylidene)methyl]naphthalen-2-ol is Oc1ccc2ccccc2c1C=NNC1=NCCC1.
What is the InChIKey of 1-[(3,4-dihydro-2H-pyrrol-5-ylhydrazinylidene)methyl]naphthalen-2-ol?
The InChIKey is VWMDJYBHYMNBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c19-14-8-7-11-4-1-2-5-12(11)13(14)10-17-18-15-6-3-9-16-15/h1-2,4-5,7-8,10,19H,3,6,9H2,(H,16,18).
What are the key properties of 1-[(3,4-dihydro-2H-pyrrol-5-ylhydrazinylidene)methyl]naphthalen-2-ol?
1-[(3,4-dihydro-2H-pyrrol-5-ylhydrazinylidene)methyl]naphthalen-2-ol has a molecular weight of 253.31 g/mol, XLogP of 2.66, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dihydro-2H-pyrrol-5-ylhydrazinylidene)methyl]naphthalen-2-ol is sourced from PubChem (CID 2322941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).