(NE)-N-[1-[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]ethylidene]hydroxylamine

C9H13NO — CID 98174711

IUPAC(NE)-N-[1-[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]ethylidene]hydroxylamine
SMILESC/C(=N\O)[C@@H]1C[C@@H]2C=C[C@H]1C2
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+/t7-,8+,9+/m1/s1
InChIKeyBKMAIDRLVDHVHD-SYVKOAGUSA-N
MW151.21 g/mol
LogP2.05
Rot. Bonds1

About (NE)-N-[1-[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]ethylidene]hydroxylamine

(NE)-N-[1-[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]ethylidene]hydroxylamine (PubChem CID 98174711) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is (NE)-N-[1-[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]ethylidene]hydroxylamine
PubChem CID98174711
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name(NE)-N-[1-[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]ethylidene]hydroxylamine
SMILESC/C(=N\O)[C@@H]1C[C@@H]2C=C[C@H]1C2
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+/t7-,8+,9+/m1/s1
InChIKeyBKMAIDRLVDHVHD-SYVKOAGUSA-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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Related Compounds

Ethanone, 1-bicyclo(2.2.1)hept-5-en-2-yl-, oxime
CID 103386
1-Bicyclo(2.2.1)hept-5-en-2-ylethan-1-one oxime
CID 5365542
Bicyclo [2.2.1] hept-2-ene-5-yl,methyl oxime
CID 5484595
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-methoxyethanimine
CID 155724572
4-(2-bicyclo[2.2.1]hept-5-enyl)-N-methoxybut-3-en-2-imine
CID 156633830
1,3a,4,6,7,7a-Hexahydro-4,7-methanoinden-5-one oxime
CID 242258
N-(5-hydroxyimino-10-tricyclo[5.2.1.02,6]deca-3,8-dienylidene)hydroxylamine
CID 4110919
(NE)-N-(8-tricyclo[5.2.1.02,6]dec-4-enylidene)hydroxylamine
CID 9561406
(NE)-N-(3-prop-2-enyl-2-bicyclo[2.2.1]heptanylidene)hydroxylamine
CID 14134642
(NE)-N-[(3aR,7aR)-2,3,3a,4,7,7a-hexahydroinden-1-ylidene]hydroxylamine
CID 15408147
8-Hydroxyimino-cis-bicyclo[4,3,0]nona-3-ene
CID 18599125
(NZ)-N-[1-(2-bicyclo[2.2.1]hept-5-enyl)-3-ethylpentylidene]hydroxylamine
CID 18669648

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]ethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]ethylidene]hydroxylamine (CID 98174711) is (NE)-N-[1-[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]ethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]ethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]ethylidene]hydroxylamine is C/C(=N\O)[C@@H]1C[C@@H]2C=C[C@H]1C2.
What is the InChIKey of (NE)-N-[1-[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]ethylidene]hydroxylamine?
The InChIKey is BKMAIDRLVDHVHD-SYVKOAGUSA-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+/t7-,8+,9+/m1/s1.
What are the key properties of (NE)-N-[1-[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]ethylidene]hydroxylamine?
(NE)-N-[1-[(1R,2R,4R)-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-[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]ethylidene]hydroxylamine is sourced from PubChem (CID 98174711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).