1-[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-N-methoxymethanimine

C9H13NO — CID 91172290

IUPAC1-[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-N-methoxymethanimine
SMILESCON=CC1C[C@H]2C=C[C@@H]1C2
InChIInChI=1S/C9H13NO/c1-11-10-6-9-5-7-2-3-8(9)4-7/h2-3,6-9H,4-5H2,1H3/t7-,8+,9?/m0/s1
InChIKeyMXYJJDXZBDMGGX-ZQTLJVIJSA-N
MW151.21 g/mol
LogP1.83
Rot. Bonds2

About 1-[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-N-methoxymethanimine

1-[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-N-methoxymethanimine (PubChem CID 91172290) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 1-[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-N-methoxymethanimine.

Molecular Properties

Compound Name1-[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-N-methoxymethanimine
PubChem CID91172290
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name1-[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-N-methoxymethanimine
SMILESCON=CC1C[C@H]2C=C[C@@H]1C2
InChIInChI=1S/C9H13NO/c1-11-10-6-9-5-7-2-3-8(9)4-7/h2-3,6-9H,4-5H2,1H3/t7-,8+,9?/m0/s1
InChIKeyMXYJJDXZBDMGGX-ZQTLJVIJSA-N
XLogP1.83
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.83
H-Bond Donors ≤ 50
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(1R,4S,5S)-5-ethenylbicyclo[2.2.1]hept-2-ene
CID 6427482
(5R)-5-ethenylbicyclo[2.2.1]hept-2-ene
CID 6428575
(1S,4S)-5-[(E)-prop-1-enyl]bicyclo[2.2.1]hept-2-ene
CID 58746218
(4R)-bicyclo[2.2.1]hept-5-ene-2-carbaldehyde
CID 118065983
N,N'-bis[(Z)-[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]oxamide
CID 124764212
ethyl N-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)carbamate
CID 3286698
(E)-4-(2-bicyclo[2.2.1]hept-5-enyl)-2-methylbut-3-en-2-ol
CID 12567594
5-but-1-enylbicyclo[2.2.1]hept-2-ene
CID 54508174
5-buta-1,3-dienylbicyclo[2.2.1]hept-2-ene
CID 54145827
(E)-2-(2-bicyclo[2.2.1]hept-5-enyl)ethenamine
CID 89078069
sodium;bicyclo[2.2.1]hept-5-ene-2-carbaldehyde;hydride
CID 173449401
2-[(Z)-[(1S,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]-1-hydroxyguanidine
CID 98136905

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-N-methoxymethanimine?
The IUPAC name of 1-[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-N-methoxymethanimine (CID 91172290) is 1-[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-N-methoxymethanimine.
What is the SMILES notation for 1-[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-N-methoxymethanimine?
The canonical SMILES for 1-[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-N-methoxymethanimine is CON=CC1C[C@H]2C=C[C@@H]1C2.
What is the InChIKey of 1-[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-N-methoxymethanimine?
The InChIKey is MXYJJDXZBDMGGX-ZQTLJVIJSA-N. The full InChI is InChI=1S/C9H13NO/c1-11-10-6-9-5-7-2-3-8(9)4-7/h2-3,6-9H,4-5H2,1H3/t7-,8+,9?/m0/s1.
What are the key properties of 1-[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-N-methoxymethanimine?
1-[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-N-methoxymethanimine has a molecular weight of 151.21 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-N-methoxymethanimine is sourced from PubChem (CID 91172290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).