(3S)-3-cyclohexa-1,3-dien-1-ylpyrrolidine

C10H15N — CID 66807240

IUPAC(3S)-3-cyclohexa-1,3-dien-1-ylpyrrolidine
SMILESC1=CCCC([C@@H]2CCNC2)=C1
InChIInChI=1S/C10H15N/c1-2-4-9(5-3-1)10-6-7-11-8-10/h1-2,4,10-11H,3,5-8H2/t10-/m1/s1
InChIKeyZZDQQRQXHJPEEP-SNVBAGLBSA-N
MW149.24 g/mol
LogP1.87
Rot. Bonds1

About (3S)-3-cyclohexa-1,3-dien-1-ylpyrrolidine

(3S)-3-cyclohexa-1,3-dien-1-ylpyrrolidine (PubChem CID 66807240) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is (3S)-3-cyclohexa-1,3-dien-1-ylpyrrolidine.

Molecular Properties

Compound Name(3S)-3-cyclohexa-1,3-dien-1-ylpyrrolidine
PubChem CID66807240
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name(3S)-3-cyclohexa-1,3-dien-1-ylpyrrolidine
SMILESC1=CCCC([C@@H]2CCNC2)=C1
InChIInChI=1S/C10H15N/c1-2-4-9(5-3-1)10-6-7-11-8-10/h1-2,4,10-11H,3,5-8H2/t10-/m1/s1
InChIKeyZZDQQRQXHJPEEP-SNVBAGLBSA-N
XLogP1.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (3S)-3-cyclohexa-1,3-dien-1-ylpyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3,3a,4,7,7a-Hexahydro-1H-isoindole
CID 20521863
2H-Benz(e)isoindoline, 3a,4,5,9b-tetrahydro-, hydrochloride, (Z)-
CID 108267
2,3,3a,4,7,7a-hexahydro-1H-isoindole hydrochloride
CID 84818734
2,3,3a,7a-tetrahydro-1H-indole
CID 15821030
Dihydroisoindoline
CID 18315888
2,3,3a,4,5,7a-Hexahydroindole
CID 18426479
4b,8a,9,9a-tetrahydro-4aH-carbazole
CID 20247922
3,3a,4,4a,8a,8b-Hexahydrocyclopenta[b]indole
CID 22490754
Hexahydroisoindole
CID 53401231
2,3,4a,8a,9,9a-hexahydro-1H-benzo[f]isoindole
CID 54098426
Hexahydro-indenopyrrole
CID 67722793
Hexahydrocyclopentaindole
CID 68427717

Frequently Asked Questions

What is the IUPAC name of (3S)-3-cyclohexa-1,3-dien-1-ylpyrrolidine?
The IUPAC name of (3S)-3-cyclohexa-1,3-dien-1-ylpyrrolidine (CID 66807240) is (3S)-3-cyclohexa-1,3-dien-1-ylpyrrolidine.
What is the SMILES notation for (3S)-3-cyclohexa-1,3-dien-1-ylpyrrolidine?
The canonical SMILES for (3S)-3-cyclohexa-1,3-dien-1-ylpyrrolidine is C1=CCCC([C@@H]2CCNC2)=C1.
What is the InChIKey of (3S)-3-cyclohexa-1,3-dien-1-ylpyrrolidine?
The InChIKey is ZZDQQRQXHJPEEP-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H15N/c1-2-4-9(5-3-1)10-6-7-11-8-10/h1-2,4,10-11H,3,5-8H2/t10-/m1/s1.
What are the key properties of (3S)-3-cyclohexa-1,3-dien-1-ylpyrrolidine?
(3S)-3-cyclohexa-1,3-dien-1-ylpyrrolidine has a molecular weight of 149.24 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-cyclohexa-1,3-dien-1-ylpyrrolidine is sourced from PubChem (CID 66807240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).