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

C13H19N — CID 162980509

IUPAC(3S)-5-but-1-enyl-3-methyl-3,4,6,7-tetrahydro-2H-cyclopenta[b]pyridine
SMILESCCC=CC1=C2C[C@H](C)CN=C2CC1
InChIInChI=1S/C13H19N/c1-3-4-5-11-6-7-13-12(11)8-10(2)9-14-13/h4-5,10H,3,6-9H2,1-2H3/t10-/m0/s1
InChIKeyNSNMNJUDJJAUJI-JTQLQIEISA-N
MW189.30 g/mol
LogP3.52
Rot. Bonds2

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

(3S)-5-but-1-enyl-3-methyl-3,4,6,7-tetrahydro-2H-cyclopenta[b]pyridine (PubChem CID 162980509) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is (3S)-5-but-1-enyl-3-methyl-3,4,6,7-tetrahydro-2H-cyclopenta[b]pyridine.

Molecular Properties

Compound Name(3S)-5-but-1-enyl-3-methyl-3,4,6,7-tetrahydro-2H-cyclopenta[b]pyridine
PubChem CID162980509
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name(3S)-5-but-1-enyl-3-methyl-3,4,6,7-tetrahydro-2H-cyclopenta[b]pyridine
SMILESCCC=CC1=C2C[C@H](C)CN=C2CC1
InChIInChI=1S/C13H19N/c1-3-4-5-11-6-7-13-12(11)8-10(2)9-14-13/h4-5,10H,3,6-9H2,1-2H3/t10-/m0/s1
InChIKeyNSNMNJUDJJAUJI-JTQLQIEISA-N
XLogP3.52
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3S)-5-but-1-enyl-3-methyl-3,4,6,7-tetrahydro-2H-cyclopenta[b]pyridine?
The IUPAC name of (3S)-5-but-1-enyl-3-methyl-3,4,6,7-tetrahydro-2H-cyclopenta[b]pyridine (CID 162980509) is (3S)-5-but-1-enyl-3-methyl-3,4,6,7-tetrahydro-2H-cyclopenta[b]pyridine.
What is the SMILES notation for (3S)-5-but-1-enyl-3-methyl-3,4,6,7-tetrahydro-2H-cyclopenta[b]pyridine?
The canonical SMILES for (3S)-5-but-1-enyl-3-methyl-3,4,6,7-tetrahydro-2H-cyclopenta[b]pyridine is CCC=CC1=C2C[C@H](C)CN=C2CC1.
What is the InChIKey of (3S)-5-but-1-enyl-3-methyl-3,4,6,7-tetrahydro-2H-cyclopenta[b]pyridine?
The InChIKey is NSNMNJUDJJAUJI-JTQLQIEISA-N. The full InChI is InChI=1S/C13H19N/c1-3-4-5-11-6-7-13-12(11)8-10(2)9-14-13/h4-5,10H,3,6-9H2,1-2H3/t10-/m0/s1.
What are the key properties of (3S)-5-but-1-enyl-3-methyl-3,4,6,7-tetrahydro-2H-cyclopenta[b]pyridine?
(3S)-5-but-1-enyl-3-methyl-3,4,6,7-tetrahydro-2H-cyclopenta[b]pyridine has a molecular weight of 189.30 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-but-1-enyl-3-methyl-3,4,6,7-tetrahydro-2H-cyclopenta[b]pyridine is sourced from PubChem (CID 162980509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).