(NE)-N-[1-[1-(cyclopropylmethoxy)naphthalen-2-yl]ethylidene]hydroxylamine

C16H17NO2 — CID 43560439

IUPAC(NE)-N-[1-[1-(cyclopropylmethoxy)naphthalen-2-yl]ethylidene]hydroxylamine
SMILESC/C(=N\O)c1ccc2ccccc2c1OCC1CC1
InChIInChI=1S/C16H17NO2/c1-11(17-18)14-9-8-13-4-2-3-5-15(13)16(14)19-10-12-6-7-12/h2-5,8-9,12,18H,6-7,10H2,1H3/b17-11+
InChIKeyHTWWNBLPBCHMOQ-GZTJUZNOSA-N
MW255.32 g/mol
LogP3.83
Rot. Bonds4

About (NE)-N-[1-[1-(cyclopropylmethoxy)naphthalen-2-yl]ethylidene]hydroxylamine

(NE)-N-[1-[1-(cyclopropylmethoxy)naphthalen-2-yl]ethylidene]hydroxylamine (PubChem CID 43560439) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is (NE)-N-[1-[1-(cyclopropylmethoxy)naphthalen-2-yl]ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-[1-(cyclopropylmethoxy)naphthalen-2-yl]ethylidene]hydroxylamine
PubChem CID43560439
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name(NE)-N-[1-[1-(cyclopropylmethoxy)naphthalen-2-yl]ethylidene]hydroxylamine
SMILESC/C(=N\O)c1ccc2ccccc2c1OCC1CC1
InChIInChI=1S/C16H17NO2/c1-11(17-18)14-9-8-13-4-2-3-5-15(13)16(14)19-10-12-6-7-12/h2-5,8-9,12,18H,6-7,10H2,1H3/b17-11+
InChIKeyHTWWNBLPBCHMOQ-GZTJUZNOSA-N
XLogP3.83
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (NE)-N-[1-[1-(cyclopropylmethoxy)naphthalen-2-yl]ethylidene]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 (NE)-N-[1-[1-(cyclopropylmethoxy)naphthalen-2-yl]ethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-[1-(cyclopropylmethoxy)naphthalen-2-yl]ethylidene]hydroxylamine (CID 43560439) is (NE)-N-[1-[1-(cyclopropylmethoxy)naphthalen-2-yl]ethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-[1-(cyclopropylmethoxy)naphthalen-2-yl]ethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-[1-(cyclopropylmethoxy)naphthalen-2-yl]ethylidene]hydroxylamine is C/C(=N\O)c1ccc2ccccc2c1OCC1CC1.
What is the InChIKey of (NE)-N-[1-[1-(cyclopropylmethoxy)naphthalen-2-yl]ethylidene]hydroxylamine?
The InChIKey is HTWWNBLPBCHMOQ-GZTJUZNOSA-N. The full InChI is InChI=1S/C16H17NO2/c1-11(17-18)14-9-8-13-4-2-3-5-15(13)16(14)19-10-12-6-7-12/h2-5,8-9,12,18H,6-7,10H2,1H3/b17-11+.
What are the key properties of (NE)-N-[1-[1-(cyclopropylmethoxy)naphthalen-2-yl]ethylidene]hydroxylamine?
(NE)-N-[1-[1-(cyclopropylmethoxy)naphthalen-2-yl]ethylidene]hydroxylamine has a molecular weight of 255.32 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-[1-(cyclopropylmethoxy)naphthalen-2-yl]ethylidene]hydroxylamine is sourced from PubChem (CID 43560439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).