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

C14H15N3O — CID 6183753

IUPAC(NE)-N-[2-(imidazol-1-ylmethyl)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine
SMILESO/N=C1/c2ccccc2CCC1Cn1ccnc1
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/b16-14+
InChIKeyIEGDOABZYCYUKF-JQIJEIRASA-N
MW241.29 g/mol
LogP2.32
Rot. Bonds2

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

(NE)-N-[2-(imidazol-1-ylmethyl)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine (PubChem CID 6183753) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is (NE)-N-[2-(imidazol-1-ylmethyl)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[2-(imidazol-1-ylmethyl)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine
PubChem CID6183753
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name(NE)-N-[2-(imidazol-1-ylmethyl)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine
SMILESO/N=C1/c2ccccc2CCC1Cn1ccnc1
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/b16-14+
InChIKeyIEGDOABZYCYUKF-JQIJEIRASA-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'}

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Related Compounds

(NZ)-N-[5-bromo-2-(imidazol-1-ylmethyl)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine
CID 25198539
5-fluoro-2-(imidazol-1-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one
CID 102411424
4-(imidazol-1-ylmethyl)-2-methyl-3,4-dihydro-1H-isoquinoline
CID 18713054
(2S)-2-(imidazol-1-ylmethyl)cycloheptan-1-one
CID 93020339
2-[[4-(imidazol-1-ylmethyl)cyclohexyl]methyl]isoindole-1,3-dione
CID 70051606
2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-(2-imidazol-1-ylethyl)acetamide
CID 95125863
N-(1-imidazol-1-ylpropan-2-yl)-2,3-dihydro-1H-inden-1-amine
CID 43749760
4-[(1E,2S)-1-hydroxyimino-3,4-dihydro-2H-naphthalen-2-yl]phenol
CID 129409898
N-(1-imidazol-1-ylpropan-2-yl)-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 51079761
N-[1-(3-imidazol-1-ylpropyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine
CID 77033455
(NE)-N-[(2S)-2-(4-bromophenyl)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine
CID 129409889
2-imidazol-1-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 17491802

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[2-(imidazol-1-ylmethyl)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[2-(imidazol-1-ylmethyl)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine (CID 6183753) is (NE)-N-[2-(imidazol-1-ylmethyl)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[2-(imidazol-1-ylmethyl)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[2-(imidazol-1-ylmethyl)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine is O/N=C1/c2ccccc2CCC1Cn1ccnc1.
What is the InChIKey of (NE)-N-[2-(imidazol-1-ylmethyl)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine?
The InChIKey is IEGDOABZYCYUKF-JQIJEIRASA-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/b16-14+.
What are the key properties of (NE)-N-[2-(imidazol-1-ylmethyl)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine?
(NE)-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 (NE)-N-[2-(imidazol-1-ylmethyl)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine is sourced from PubChem (CID 6183753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).