(1S,4S)-bicyclo[2.2.1]hept-5-en-2-imine

C7H9N — CID 134893192

IUPAC(1S,4S)-bicyclo[2.2.1]hept-5-en-2-imine
SMILES[H]/N=C1\C[C@H]2C=C[C@@H]1C2
InChIInChI=1S/C7H9N/c8-7-4-5-1-2-6(7)3-5/h1-2,5-6,8H,3-4H2/b8-7+/t5-,6+/m0/s1
InChIKeyZEKHLDNVBDSKIV-LUSDVDAMSA-N
MW107.16 g/mol
LogP1.60
Rot. Bonds

About (1S,4S)-bicyclo[2.2.1]hept-5-en-2-imine

(1S,4S)-bicyclo[2.2.1]hept-5-en-2-imine (PubChem CID 134893192) has the molecular formula C7H9N and a molecular weight of 107.16 g/mol. Its IUPAC name is (1S,4S)-bicyclo[2.2.1]hept-5-en-2-imine.

Molecular Properties

Compound Name(1S,4S)-bicyclo[2.2.1]hept-5-en-2-imine
PubChem CID134893192
Molecular FormulaC7H9N
Molecular Weight107.16 g/mol
Exact Mass107.07
IUPAC Name(1S,4S)-bicyclo[2.2.1]hept-5-en-2-imine
SMILES[H]/N=C1\C[C@H]2C=C[C@@H]1C2
InChIInChI=1S/C7H9N/c8-7-4-5-1-2-6(7)3-5/h1-2,5-6,8H,3-4H2/b8-7+/t5-,6+/m0/s1
InChIKeyZEKHLDNVBDSKIV-LUSDVDAMSA-N
XLogP1.60
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.16
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Bicyclo[2.2.1]hept-5-en-2-imine
CID 14118226
N-(2-bicyclo[2.2.1]hept-5-enylidene)hydroxylamine
CID 85924305
6-Methylcyclohex-2-en-1-imine
CID 86188349
5-Methylcyclohex-2-en-1-imine
CID 86188350
1-Cyclohex-3-en-1-ylethanimine
CID 88885301
Bicyclo[2.2.1]hept-5-ene-2,3-diimine
CID 135324398
(NE)-N-(3-imino-2-bicyclo[2.2.1]hept-5-enylidene)hydroxylamine
CID 136415043
N-(3-imino-2-bicyclo[2.2.1]hept-5-enylidene)hydroxylamine
CID 136415044
5-Diazobicyclo[2.2.1]hept-2-ene
CID 140288642
(2R)-2-ethenylcyclopentan-1-imine
CID 144786080
2-Ethenylcyclopentan-1-imine
CID 163704497
2-Methylcyclohex-3-en-1-imine
CID 164039349

Frequently Asked Questions

What is the IUPAC name of (1S,4S)-bicyclo[2.2.1]hept-5-en-2-imine?
The IUPAC name of (1S,4S)-bicyclo[2.2.1]hept-5-en-2-imine (CID 134893192) is (1S,4S)-bicyclo[2.2.1]hept-5-en-2-imine.
What is the SMILES notation for (1S,4S)-bicyclo[2.2.1]hept-5-en-2-imine?
The canonical SMILES for (1S,4S)-bicyclo[2.2.1]hept-5-en-2-imine is [H]/N=C1\C[C@H]2C=C[C@@H]1C2.
What is the InChIKey of (1S,4S)-bicyclo[2.2.1]hept-5-en-2-imine?
The InChIKey is ZEKHLDNVBDSKIV-LUSDVDAMSA-N. The full InChI is InChI=1S/C7H9N/c8-7-4-5-1-2-6(7)3-5/h1-2,5-6,8H,3-4H2/b8-7+/t5-,6+/m0/s1.
What are the key properties of (1S,4S)-bicyclo[2.2.1]hept-5-en-2-imine?
(1S,4S)-bicyclo[2.2.1]hept-5-en-2-imine has a molecular weight of 107.16 g/mol, XLogP of 1.60, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S)-bicyclo[2.2.1]hept-5-en-2-imine is sourced from PubChem (CID 134893192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).