(NE)-N-(7-propan-2-yl-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine

C13H17NO — CID 24808609

IUPAC(NE)-N-(7-propan-2-yl-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine
SMILESCC(C)c1ccc2c(c1)/C(=N/O)CCC2
InChIInChI=1S/C13H17NO/c1-9(2)11-7-6-10-4-3-5-13(14-15)12(10)8-11/h6-9,15H,3-5H2,1-2H3/b14-13+
InChIKeyDOKNUSYJLHSZHA-BUHFOSPRSA-N
MW203.29 g/mol
LogP3.32
Rot. Bonds1

About (NE)-N-(7-propan-2-yl-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine

(NE)-N-(7-propan-2-yl-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine (PubChem CID 24808609) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is (NE)-N-(7-propan-2-yl-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(7-propan-2-yl-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine
PubChem CID24808609
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name(NE)-N-(7-propan-2-yl-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine
SMILESCC(C)c1ccc2c(c1)/C(=N/O)CCC2
InChIInChI=1S/C13H17NO/c1-9(2)11-7-6-10-4-3-5-13(14-15)12(10)8-11/h6-9,15H,3-5H2,1-2H3/b14-13+
InChIKeyDOKNUSYJLHSZHA-BUHFOSPRSA-N
XLogP3.32
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of (NE)-N-(7-propan-2-yl-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine?
The IUPAC name of (NE)-N-(7-propan-2-yl-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine (CID 24808609) is (NE)-N-(7-propan-2-yl-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(7-propan-2-yl-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(7-propan-2-yl-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine is CC(C)c1ccc2c(c1)/C(=N/O)CCC2.
What is the InChIKey of (NE)-N-(7-propan-2-yl-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine?
The InChIKey is DOKNUSYJLHSZHA-BUHFOSPRSA-N. The full InChI is InChI=1S/C13H17NO/c1-9(2)11-7-6-10-4-3-5-13(14-15)12(10)8-11/h6-9,15H,3-5H2,1-2H3/b14-13+.
What are the key properties of (NE)-N-(7-propan-2-yl-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine?
(NE)-N-(7-propan-2-yl-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine has a molecular weight of 203.29 g/mol, XLogP of 3.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(7-propan-2-yl-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine is sourced from PubChem (CID 24808609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).