2-[2-(hydrazinylmethyl)phenyl]-7,7-dimethyl-6,8-dihydro-5H-naphthalene-1-carboxylic acid

C20H24N2O2 — CID 130403421

IUPAC2-[2-(hydrazinylmethyl)phenyl]-7,7-dimethyl-6,8-dihydro-5H-naphthalene-1-carboxylic acid
SMILESCC1(C)CCc2ccc(-c3ccccc3CNN)c(C(=O)O)c2C1
InChIInChI=1S/C20H24N2O2/c1-20(2)10-9-13-7-8-16(18(19(23)24)17(13)11-20)15-6-4-3-5-14(15)12-22-21/h3-8,22H,9-12,21H2,1-2H3,(H,23,24)
InChIKeyTWHFEVHLTJGATA-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.53
Rot. Bonds4

About 2-[2-(hydrazinylmethyl)phenyl]-7,7-dimethyl-6,8-dihydro-5H-naphthalene-1-carboxylic acid

2-[2-(hydrazinylmethyl)phenyl]-7,7-dimethyl-6,8-dihydro-5H-naphthalene-1-carboxylic acid (PubChem CID 130403421) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 2-[2-(hydrazinylmethyl)phenyl]-7,7-dimethyl-6,8-dihydro-5H-naphthalene-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-(hydrazinylmethyl)phenyl]-7,7-dimethyl-6,8-dihydro-5H-naphthalene-1-carboxylic acid
PubChem CID130403421
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name2-[2-(hydrazinylmethyl)phenyl]-7,7-dimethyl-6,8-dihydro-5H-naphthalene-1-carboxylic acid
SMILESCC1(C)CCc2ccc(-c3ccccc3CNN)c(C(=O)O)c2C1
InChIInChI=1S/C20H24N2O2/c1-20(2)10-9-13-7-8-16(18(19(23)24)17(13)11-20)15-6-4-3-5-14(15)12-22-21/h3-8,22H,9-12,21H2,1-2H3,(H,23,24)
InChIKeyTWHFEVHLTJGATA-UHFFFAOYSA-N
XLogP3.53
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[2-(hydrazinylmethyl)phenyl]-7,7-dimethyl-6,8-dihydro-5H-naphthalene-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydrazinylmethyl)phenyl]-7,7-dimethyl-6,8-dihydro-5H-naphthalene-1-carboxylic acid?
The IUPAC name of 2-[2-(hydrazinylmethyl)phenyl]-7,7-dimethyl-6,8-dihydro-5H-naphthalene-1-carboxylic acid (CID 130403421) is 2-[2-(hydrazinylmethyl)phenyl]-7,7-dimethyl-6,8-dihydro-5H-naphthalene-1-carboxylic acid.
What is the SMILES notation for 2-[2-(hydrazinylmethyl)phenyl]-7,7-dimethyl-6,8-dihydro-5H-naphthalene-1-carboxylic acid?
The canonical SMILES for 2-[2-(hydrazinylmethyl)phenyl]-7,7-dimethyl-6,8-dihydro-5H-naphthalene-1-carboxylic acid is CC1(C)CCc2ccc(-c3ccccc3CNN)c(C(=O)O)c2C1.
What is the InChIKey of 2-[2-(hydrazinylmethyl)phenyl]-7,7-dimethyl-6,8-dihydro-5H-naphthalene-1-carboxylic acid?
The InChIKey is TWHFEVHLTJGATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-20(2)10-9-13-7-8-16(18(19(23)24)17(13)11-20)15-6-4-3-5-14(15)12-22-21/h3-8,22H,9-12,21H2,1-2H3,(H,23,24).
What are the key properties of 2-[2-(hydrazinylmethyl)phenyl]-7,7-dimethyl-6,8-dihydro-5H-naphthalene-1-carboxylic acid?
2-[2-(hydrazinylmethyl)phenyl]-7,7-dimethyl-6,8-dihydro-5H-naphthalene-1-carboxylic acid has a molecular weight of 324.42 g/mol, XLogP of 3.53, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydrazinylmethyl)phenyl]-7,7-dimethyl-6,8-dihydro-5H-naphthalene-1-carboxylic acid is sourced from PubChem (CID 130403421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).