(5,6,7-trimethoxy-3,4-dihydro-2H-naphthalen-1-ylidene)hydrazine

C13H18N2O3 — CID 4656753

IUPAC(5,6,7-trimethoxy-3,4-dihydro-2H-naphthalen-1-ylidene)hydrazine
SMILESCOc1cc2c(c(OC)c1OC)CCCC2=NN
InChIInChI=1S/C13H18N2O3/c1-16-11-7-9-8(5-4-6-10(9)15-14)12(17-2)13(11)18-3/h7H,4-6,14H2,1-3H3
InChIKeyDJFWVIFACNIUCO-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.71
Rot. Bonds3

About (5,6,7-trimethoxy-3,4-dihydro-2H-naphthalen-1-ylidene)hydrazine

(5,6,7-trimethoxy-3,4-dihydro-2H-naphthalen-1-ylidene)hydrazine (PubChem CID 4656753) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is (5,6,7-trimethoxy-3,4-dihydro-2H-naphthalen-1-ylidene)hydrazine.

Molecular Properties

Compound Name(5,6,7-trimethoxy-3,4-dihydro-2H-naphthalen-1-ylidene)hydrazine
PubChem CID4656753
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name(5,6,7-trimethoxy-3,4-dihydro-2H-naphthalen-1-ylidene)hydrazine
SMILESCOc1cc2c(c(OC)c1OC)CCCC2=NN
InChIInChI=1S/C13H18N2O3/c1-16-11-7-9-8(5-4-6-10(9)15-14)12(17-2)13(11)18-3/h7H,4-6,14H2,1-3H3
InChIKeyDJFWVIFACNIUCO-UHFFFAOYSA-N
XLogP1.71
TPSA66.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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

5,6,7-trimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 55109327
(1R)-5,6,7-trimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79014185
(2E)-2-(4,5,6-trimethoxy-2,3-dihydroinden-1-ylidene)acetonitrile
CID 125464319
2-hydroxy-5,6,7-trimethoxy-3,4-dihydronaphthalene-1-carboxylic acid
CID 151109403
2-(6,7-dimethoxy-2,3-dihydro-1H-inden-4-yl)ethanamine
CID 54401717
7-(hydroxymethyl)-1,2,3-trimethoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 71272183
5,6,7-trimethoxy-1-methylidene-3,4-dihydro-2H-naphthalene-2-carbaldehyde
CID 174824167
5-chloro-1,2,3-trimethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 55108947
1,2,3,6,7,8-hexamethoxy-9,10-dihydroanthracene
CID 126606780
4-(4,7-dimethoxy-2,3-dihydro-1H-inden-5-yl)-1H-pyrazol-5-amine
CID 117401937
(3,4,5-trimethoxybenzoyl)sulfonyl-(3,4,5-trimethoxyphenyl)methanone
CID 88824717
(1R)-5-fluoro-7,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79014418

Frequently Asked Questions

What is the IUPAC name of (5,6,7-trimethoxy-3,4-dihydro-2H-naphthalen-1-ylidene)hydrazine?
The IUPAC name of (5,6,7-trimethoxy-3,4-dihydro-2H-naphthalen-1-ylidene)hydrazine (CID 4656753) is (5,6,7-trimethoxy-3,4-dihydro-2H-naphthalen-1-ylidene)hydrazine.
What is the SMILES notation for (5,6,7-trimethoxy-3,4-dihydro-2H-naphthalen-1-ylidene)hydrazine?
The canonical SMILES for (5,6,7-trimethoxy-3,4-dihydro-2H-naphthalen-1-ylidene)hydrazine is COc1cc2c(c(OC)c1OC)CCCC2=NN.
What is the InChIKey of (5,6,7-trimethoxy-3,4-dihydro-2H-naphthalen-1-ylidene)hydrazine?
The InChIKey is DJFWVIFACNIUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-16-11-7-9-8(5-4-6-10(9)15-14)12(17-2)13(11)18-3/h7H,4-6,14H2,1-3H3.
What are the key properties of (5,6,7-trimethoxy-3,4-dihydro-2H-naphthalen-1-ylidene)hydrazine?
(5,6,7-trimethoxy-3,4-dihydro-2H-naphthalen-1-ylidene)hydrazine has a molecular weight of 250.30 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5,6,7-trimethoxy-3,4-dihydro-2H-naphthalen-1-ylidene)hydrazine is sourced from PubChem (CID 4656753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).