(NE)-N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylidene]hydroxylamine

C9H13NO — CID 5484595

IUPAC(NE)-N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylidene]hydroxylamine
SMILESC/C(=N\O)C1CC2C=CC1C2
InChIInChI=1S/C9H13NO/c1-6(10-11)9-5-7-2-3-8(9)4-7/h2-3,7-9,11H,4-5H2,1H3/b10-6+
InChIKeyBKMAIDRLVDHVHD-UXBLZVDNSA-N
MW151.21 g/mol
LogP2.05
Rot. Bonds1

About (NE)-N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylidene]hydroxylamine

(NE)-N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylidene]hydroxylamine (PubChem CID 5484595) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is (NE)-N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylidene]hydroxylamine
PubChem CID5484595
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name(NE)-N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylidene]hydroxylamine
SMILESC/C(=N\O)C1CC2C=CC1C2
InChIInChI=1S/C9H13NO/c1-6(10-11)9-5-7-2-3-8(9)4-7/h2-3,7-9,11H,4-5H2,1H3/b10-6+
InChIKeyBKMAIDRLVDHVHD-UXBLZVDNSA-N
XLogP2.05
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylidene]hydroxylamine (CID 5484595) is (NE)-N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylidene]hydroxylamine is C/C(=N\O)C1CC2C=CC1C2.
What is the InChIKey of (NE)-N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylidene]hydroxylamine?
The InChIKey is BKMAIDRLVDHVHD-UXBLZVDNSA-N. The full InChI is InChI=1S/C9H13NO/c1-6(10-11)9-5-7-2-3-8(9)4-7/h2-3,7-9,11H,4-5H2,1H3/b10-6+.
What are the key properties of (NE)-N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylidene]hydroxylamine?
(NE)-N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylidene]hydroxylamine has a molecular weight of 151.21 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylidene]hydroxylamine is sourced from PubChem (CID 5484595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).