N-[2-(imidazol-1-ylmethyl)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine

C14H15N3O — CID 550557

IUPACN-[2-(imidazol-1-ylmethyl)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine
SMILESON=C1c2ccccc2CCC1Cn1ccnc1
InChIInChI=1S/C14H15N3O/c18-16-14-12(9-17-8-7-15-10-17)6-5-11-3-1-2-4-13(11)14/h1-4,7-8,10,12,18H,5-6,9H2
InChIKeyIEGDOABZYCYUKF-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.32
Rot. Bonds2

About N-[2-(imidazol-1-ylmethyl)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine

N-[2-(imidazol-1-ylmethyl)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine (PubChem CID 550557) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is N-[2-(imidazol-1-ylmethyl)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[2-(imidazol-1-ylmethyl)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine
PubChem CID550557
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC NameN-[2-(imidazol-1-ylmethyl)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine
SMILESON=C1c2ccccc2CCC1Cn1ccnc1
InChIInChI=1S/C14H15N3O/c18-16-14-12(9-17-8-7-15-10-17)6-5-11-3-1-2-4-13(11)14/h1-4,7-8,10,12,18H,5-6,9H2
InChIKeyIEGDOABZYCYUKF-UHFFFAOYSA-N
XLogP2.32
TPSA50.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[2-(imidazol-1-ylmethyl)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine 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 N-[2-(imidazol-1-ylmethyl)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine?
The IUPAC name of N-[2-(imidazol-1-ylmethyl)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine (CID 550557) is N-[2-(imidazol-1-ylmethyl)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine.
What is the SMILES notation for N-[2-(imidazol-1-ylmethyl)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine?
The canonical SMILES for N-[2-(imidazol-1-ylmethyl)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine is ON=C1c2ccccc2CCC1Cn1ccnc1.
What is the InChIKey of N-[2-(imidazol-1-ylmethyl)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine?
The InChIKey is IEGDOABZYCYUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c18-16-14-12(9-17-8-7-15-10-17)6-5-11-3-1-2-4-13(11)14/h1-4,7-8,10,12,18H,5-6,9H2.
What are the key properties of N-[2-(imidazol-1-ylmethyl)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine?
N-[2-(imidazol-1-ylmethyl)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine has a molecular weight of 241.29 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(imidazol-1-ylmethyl)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine is sourced from PubChem (CID 550557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).