2-but-3-ynyl-1,3,4,4a,5,9b-hexahydroindeno[1,2-c]pyridin-5-ol

C16H19NO — CID 163859727

IUPAC2-but-3-ynyl-1,3,4,4a,5,9b-hexahydroindeno[1,2-c]pyridin-5-ol
SMILESC#CCCN1CCC2C(O)c3ccccc3C2C1
InChIInChI=1S/C16H19NO/c1-2-3-9-17-10-8-14-15(11-17)12-6-4-5-7-13(12)16(14)18/h1,4-7,14-16,18H,3,8-11H2
InChIKeyPBKOGCPSRGPYCZ-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.16
Rot. Bonds2

About 2-but-3-ynyl-1,3,4,4a,5,9b-hexahydroindeno[1,2-c]pyridin-5-ol

2-but-3-ynyl-1,3,4,4a,5,9b-hexahydroindeno[1,2-c]pyridin-5-ol (PubChem CID 163859727) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-but-3-ynyl-1,3,4,4a,5,9b-hexahydroindeno[1,2-c]pyridin-5-ol.

Molecular Properties

Compound Name2-but-3-ynyl-1,3,4,4a,5,9b-hexahydroindeno[1,2-c]pyridin-5-ol
PubChem CID163859727
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name2-but-3-ynyl-1,3,4,4a,5,9b-hexahydroindeno[1,2-c]pyridin-5-ol
SMILESC#CCCN1CCC2C(O)c3ccccc3C2C1
InChIInChI=1S/C16H19NO/c1-2-3-9-17-10-8-14-15(11-17)12-6-4-5-7-13(12)16(14)18/h1,4-7,14-16,18H,3,8-11H2
InChIKeyPBKOGCPSRGPYCZ-UHFFFAOYSA-N
XLogP2.16
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-but-3-ynyl-1,3,4,4a,5,9b-hexahydroindeno[1,2-c]pyridin-5-ol with MolForge

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Related Compounds

(4aR,5R,9bS)-2-benzyl-1,3,4,4a,5,9b-hexahydroindeno[1,2-c]pyridin-5-ol
CID 844320
1-but-3-ynyl-N-phenylpiperidin-4-amine
CID 18427954
1-but-3-ynyl-3-ethylpiperidin-4-ol
CID 114511006
(1-but-3-ynylpyrrolidin-3-yl)methanol
CID 62372268
4-fluoro-N-[2-(4-hydroxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)ethyl]benzamide;hydrobromide
CID 67859629
1-but-3-ynyl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperazine
CID 101343557
1-but-3-ynylazetidine
CID 130164474
1-but-3-ynyl-4-(pyrrolidin-1-ylmethyl)piperidine
CID 63656638
1-(2-phenylethyl)-N-prop-2-ynylpyrrolidin-3-amine
CID 61211753
1-but-3-ynyl-4-[(4-chlorophenyl)methyl]piperidine
CID 10682872
1-(1-but-3-ynylpiperidin-4-yl)ethanone
CID 63846870
1-(2,3-dihydro-1H-inden-1-yl)pent-4-yn-1-ol
CID 65409805

Frequently Asked Questions

What is the IUPAC name of 2-but-3-ynyl-1,3,4,4a,5,9b-hexahydroindeno[1,2-c]pyridin-5-ol?
The IUPAC name of 2-but-3-ynyl-1,3,4,4a,5,9b-hexahydroindeno[1,2-c]pyridin-5-ol (CID 163859727) is 2-but-3-ynyl-1,3,4,4a,5,9b-hexahydroindeno[1,2-c]pyridin-5-ol.
What is the SMILES notation for 2-but-3-ynyl-1,3,4,4a,5,9b-hexahydroindeno[1,2-c]pyridin-5-ol?
The canonical SMILES for 2-but-3-ynyl-1,3,4,4a,5,9b-hexahydroindeno[1,2-c]pyridin-5-ol is C#CCCN1CCC2C(O)c3ccccc3C2C1.
What is the InChIKey of 2-but-3-ynyl-1,3,4,4a,5,9b-hexahydroindeno[1,2-c]pyridin-5-ol?
The InChIKey is PBKOGCPSRGPYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-2-3-9-17-10-8-14-15(11-17)12-6-4-5-7-13(12)16(14)18/h1,4-7,14-16,18H,3,8-11H2.
What are the key properties of 2-but-3-ynyl-1,3,4,4a,5,9b-hexahydroindeno[1,2-c]pyridin-5-ol?
2-but-3-ynyl-1,3,4,4a,5,9b-hexahydroindeno[1,2-c]pyridin-5-ol has a molecular weight of 241.33 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-ynyl-1,3,4,4a,5,9b-hexahydroindeno[1,2-c]pyridin-5-ol is sourced from PubChem (CID 163859727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).