(1S,5R)-N-propan-2-ylbicyclo[3.2.0]hept-2-en-6-imine

C10H15N — CID 11194424

IUPAC(1S,5R)-N-propan-2-ylbicyclo[3.2.0]hept-2-en-6-imine
SMILESCC(C)/N=C1\C[C@H]2C=CC[C@@H]12
InChIInChI=1S/C10H15N/c1-7(2)11-10-6-8-4-3-5-9(8)10/h3-4,7-9H,5-6H2,1-2H3/b11-10+/t8-,9-/m1/s1
InChIKeyUPSWWSVKTQVICZ-CMDNNSEDSA-N
MW149.24 g/mol
LogP2.43
Rot. Bonds1

About (1S,5R)-N-propan-2-ylbicyclo[3.2.0]hept-2-en-6-imine

(1S,5R)-N-propan-2-ylbicyclo[3.2.0]hept-2-en-6-imine (PubChem CID 11194424) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is (1S,5R)-N-propan-2-ylbicyclo[3.2.0]hept-2-en-6-imine.

Molecular Properties

Compound Name(1S,5R)-N-propan-2-ylbicyclo[3.2.0]hept-2-en-6-imine
PubChem CID11194424
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name(1S,5R)-N-propan-2-ylbicyclo[3.2.0]hept-2-en-6-imine
SMILESCC(C)/N=C1\C[C@H]2C=CC[C@@H]12
InChIInChI=1S/C10H15N/c1-7(2)11-10-6-8-4-3-5-9(8)10/h3-4,7-9H,5-6H2,1-2H3/b11-10+/t8-,9-/m1/s1
InChIKeyUPSWWSVKTQVICZ-CMDNNSEDSA-N
XLogP2.43
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.43
H-Bond Donors ≤ 50
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

3,7,8-Trimethyl-2-azabicyclo[4.1.1]octa-2,4-diene
CID 67561784
N-[2,4-dimethyl-3-[(Z)-prop-1-enyl]cyclobutyl]propan-2-imine
CID 88276317
1-[(2S)-2-ethenylcyclobutyl]-N-methylethanimine
CID 163425860
5-cyclobutyl-2-ethyl-2H-pyrrole
CID 174877755
5-cyclobutyl-2-methyl-2H-pyrrole
CID 175314386
5-butyl-2-cyclohepta-2,5-dien-1-yl-3,4-dihydro-2H-pyrrole
CID 11241414
(1S,5R)-2-ethyl-4-methyl-3-azabicyclo[3.2.0]hepta-2,6-diene
CID 21779117
(1S,5R)-4-methyl-2-propyl-3-azabicyclo[3.2.0]hepta-2,6-diene
CID 21779118
(1R,5S)-3-ethyl-2-azabicyclo[3.2.0]hepta-2,6-diene
CID 21779122
(1R,5S)-3-propyl-2-azabicyclo[3.2.0]hepta-2,6-diene
CID 21779123
(1R,5S)-3-butyl-2-azabicyclo[3.2.0]hepta-2,6-diene
CID 21779124
4,7-Ditert-butyl-6-azabicyclo[3.2.0]hepta-2,6-diene
CID 101141414

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-N-propan-2-ylbicyclo[3.2.0]hept-2-en-6-imine?
The IUPAC name of (1S,5R)-N-propan-2-ylbicyclo[3.2.0]hept-2-en-6-imine (CID 11194424) is (1S,5R)-N-propan-2-ylbicyclo[3.2.0]hept-2-en-6-imine.
What is the SMILES notation for (1S,5R)-N-propan-2-ylbicyclo[3.2.0]hept-2-en-6-imine?
The canonical SMILES for (1S,5R)-N-propan-2-ylbicyclo[3.2.0]hept-2-en-6-imine is CC(C)/N=C1\C[C@H]2C=CC[C@@H]12.
What is the InChIKey of (1S,5R)-N-propan-2-ylbicyclo[3.2.0]hept-2-en-6-imine?
The InChIKey is UPSWWSVKTQVICZ-CMDNNSEDSA-N. The full InChI is InChI=1S/C10H15N/c1-7(2)11-10-6-8-4-3-5-9(8)10/h3-4,7-9H,5-6H2,1-2H3/b11-10+/t8-,9-/m1/s1.
What are the key properties of (1S,5R)-N-propan-2-ylbicyclo[3.2.0]hept-2-en-6-imine?
(1S,5R)-N-propan-2-ylbicyclo[3.2.0]hept-2-en-6-imine has a molecular weight of 149.24 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-N-propan-2-ylbicyclo[3.2.0]hept-2-en-6-imine is sourced from PubChem (CID 11194424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).