5-[(E)-but-1-enyl]-3-methyl-3,4,6,7-tetrahydro-2H-cyclopenta[b]pyridine;hydrochloride

C13H20ClN — CID 6445872

IUPAC5-[(E)-but-1-enyl]-3-methyl-3,4,6,7-tetrahydro-2H-cyclopenta[b]pyridine;hydrochloride
SMILESCC/C=C/C1=C2CC(C)CN=C2CC1.Cl
InChIInChI=1S/C13H19N.ClH/c1-3-4-5-11-6-7-13-12(11)8-10(2)9-14-13;/h4-5,10H,3,6-9H2,1-2H3;1H/b5-4+;
InChIKeyOOZIYFNNFDJCBA-FXRZFVDSSA-N
MW225.76 g/mol
LogP3.95
Rot. Bonds2

About 5-[(E)-but-1-enyl]-3-methyl-3,4,6,7-tetrahydro-2H-cyclopenta[b]pyridine;hydrochloride

5-[(E)-but-1-enyl]-3-methyl-3,4,6,7-tetrahydro-2H-cyclopenta[b]pyridine;hydrochloride (PubChem CID 6445872) has the molecular formula C13H20ClN and a molecular weight of 225.76 g/mol. Its IUPAC name is 5-[(E)-but-1-enyl]-3-methyl-3,4,6,7-tetrahydro-2H-cyclopenta[b]pyridine;hydrochloride.

Molecular Properties

Compound Name5-[(E)-but-1-enyl]-3-methyl-3,4,6,7-tetrahydro-2H-cyclopenta[b]pyridine;hydrochloride
PubChem CID6445872
Molecular FormulaC13H20ClN
Molecular Weight225.76 g/mol
Exact Mass225.13
IUPAC Name5-[(E)-but-1-enyl]-3-methyl-3,4,6,7-tetrahydro-2H-cyclopenta[b]pyridine;hydrochloride
SMILESCC/C=C/C1=C2CC(C)CN=C2CC1.Cl
InChIInChI=1S/C13H19N.ClH/c1-3-4-5-11-6-7-13-12(11)8-10(2)9-14-13;/h4-5,10H,3,6-9H2,1-2H3;1H/b5-4+;
InChIKeyOOZIYFNNFDJCBA-FXRZFVDSSA-N
XLogP3.95
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.76
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-[(E)-but-1-enyl]-3-methyl-3,4,6,7-tetrahydro-2H-cyclopenta[b]pyridine;hydrochloride with MolForge

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Related Compounds

Lanopylin A1
CID 9883534
Lanopylin A2
CID 11427950
CID 6445873
CID 6445873
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(4Z)-5-methyl-4-(15-methylhexadecylidene)-2,3-dihydropyrrole
CID 20732637
5-Methyl-4-(17-methyloctadec-12-enylidene)-2,3-dihydropyrrole
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3-methyl-6-[(3E,5E)-2,6,7-trifluorohepta-1,3,5-trien-4-yl]-2,3,4,5-tetrahydropyridine
CID 166963371
(2S)-2-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]-5-propan-2-yl-3,4-dihydro-2H-pyrrole
CID 167026133
(3aR,9aS,9bS)-6,9a-dimethyl-3,3a,4,9b-tetrahydrocyclopenta[c]quinoline
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5-[(E)-but-1-enyl]-3-methyl-3,4,6,7-tetrahydro-2H-cyclopenta[b]pyridine
CID 162980508
(3aS,9aR,9bR)-6,9a-dimethyl-3,3a,4,9b-tetrahydrocyclopenta[c]quinoline
CID 10965517
3-propan-2-yl-4,5,6,7-tetrahydro-1H-isoindole
CID 20604071

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-but-1-enyl]-3-methyl-3,4,6,7-tetrahydro-2H-cyclopenta[b]pyridine;hydrochloride?
The IUPAC name of 5-[(E)-but-1-enyl]-3-methyl-3,4,6,7-tetrahydro-2H-cyclopenta[b]pyridine;hydrochloride (CID 6445872) is 5-[(E)-but-1-enyl]-3-methyl-3,4,6,7-tetrahydro-2H-cyclopenta[b]pyridine;hydrochloride.
What is the SMILES notation for 5-[(E)-but-1-enyl]-3-methyl-3,4,6,7-tetrahydro-2H-cyclopenta[b]pyridine;hydrochloride?
The canonical SMILES for 5-[(E)-but-1-enyl]-3-methyl-3,4,6,7-tetrahydro-2H-cyclopenta[b]pyridine;hydrochloride is CC/C=C/C1=C2CC(C)CN=C2CC1.Cl.
What is the InChIKey of 5-[(E)-but-1-enyl]-3-methyl-3,4,6,7-tetrahydro-2H-cyclopenta[b]pyridine;hydrochloride?
The InChIKey is OOZIYFNNFDJCBA-FXRZFVDSSA-N. The full InChI is InChI=1S/C13H19N.ClH/c1-3-4-5-11-6-7-13-12(11)8-10(2)9-14-13;/h4-5,10H,3,6-9H2,1-2H3;1H/b5-4+;.
What are the key properties of 5-[(E)-but-1-enyl]-3-methyl-3,4,6,7-tetrahydro-2H-cyclopenta[b]pyridine;hydrochloride?
5-[(E)-but-1-enyl]-3-methyl-3,4,6,7-tetrahydro-2H-cyclopenta[b]pyridine;hydrochloride has a molecular weight of 225.76 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-but-1-enyl]-3-methyl-3,4,6,7-tetrahydro-2H-cyclopenta[b]pyridine;hydrochloride is sourced from PubChem (CID 6445872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).