8-pyrrolidin-2-yl-1,3,4,5-tetrahydropyrano[4,3-b]indole

C15H18N2O — CID 117358131

IUPAC8-pyrrolidin-2-yl-1,3,4,5-tetrahydropyrano[4,3-b]indole
SMILESc1cc2[nH]c3c(c2cc1C1CCCN1)COCC3
InChIInChI=1S/C15H18N2O/c1-2-13(16-6-1)10-3-4-14-11(8-10)12-9-18-7-5-15(12)17-14/h3-4,8,13,16-17H,1-2,5-7,9H2
InChIKeyNFZCLUVETRJRMP-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.67
Rot. Bonds1

About 8-pyrrolidin-2-yl-1,3,4,5-tetrahydropyrano[4,3-b]indole

8-pyrrolidin-2-yl-1,3,4,5-tetrahydropyrano[4,3-b]indole (PubChem CID 117358131) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 8-pyrrolidin-2-yl-1,3,4,5-tetrahydropyrano[4,3-b]indole.

Molecular Properties

Compound Name8-pyrrolidin-2-yl-1,3,4,5-tetrahydropyrano[4,3-b]indole
PubChem CID117358131
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name8-pyrrolidin-2-yl-1,3,4,5-tetrahydropyrano[4,3-b]indole
SMILESc1cc2[nH]c3c(c2cc1C1CCCN1)COCC3
InChIInChI=1S/C15H18N2O/c1-2-13(16-6-1)10-3-4-14-11(8-10)12-9-18-7-5-15(12)17-14/h3-4,8,13,16-17H,1-2,5-7,9H2
InChIKeyNFZCLUVETRJRMP-UHFFFAOYSA-N
XLogP2.67
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

8-piperidin-2-yl-1,3,4,5-tetrahydropyrano[4,3-b]indole
CID 117394556
7-piperidin-2-yl-1,2,3,4-tetrahydrocyclopenta[b]indole
CID 117353822
8-(piperidin-4-ylmethyl)-1,3,4,5-tetrahydropyrano[4,3-b]indole
CID 117429365
3-pyrrolidin-2-yl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole
CID 83847308
6-(4-methylpiperazin-2-yl)-2,3,4,9-tetrahydro-1H-carbazole
CID 116996596
O-[2-(1,3,4,5-tetrahydropyrano[4,3-b]indol-8-yl)ethyl]hydroxylamine
CID 117336573
(2R)-2-(2,3-dihydro-1H-cyclopenta[a]naphthalen-8-yl)pyrrolidine
CID 66519507
5-pyrrolidin-2-yl-1H-indazole
CID 82602484
ethyl 2-oxo-2-(1,3,4,5-tetrahydropyrano[4,3-b]indol-8-yl)acetate
CID 117435495
2-(1-benzofuran-6-yl)pyrrolidine
CID 82602445
2-[4-(oxan-4-yloxy)phenyl]pyrrolidine
CID 115004800
4-[(2S)-pyrrolidin-2-yl]benzene-1,2-diol
CID 66518287

Frequently Asked Questions

What is the IUPAC name of 8-pyrrolidin-2-yl-1,3,4,5-tetrahydropyrano[4,3-b]indole?
The IUPAC name of 8-pyrrolidin-2-yl-1,3,4,5-tetrahydropyrano[4,3-b]indole (CID 117358131) is 8-pyrrolidin-2-yl-1,3,4,5-tetrahydropyrano[4,3-b]indole.
What is the SMILES notation for 8-pyrrolidin-2-yl-1,3,4,5-tetrahydropyrano[4,3-b]indole?
The canonical SMILES for 8-pyrrolidin-2-yl-1,3,4,5-tetrahydropyrano[4,3-b]indole is c1cc2[nH]c3c(c2cc1C1CCCN1)COCC3.
What is the InChIKey of 8-pyrrolidin-2-yl-1,3,4,5-tetrahydropyrano[4,3-b]indole?
The InChIKey is NFZCLUVETRJRMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-2-13(16-6-1)10-3-4-14-11(8-10)12-9-18-7-5-15(12)17-14/h3-4,8,13,16-17H,1-2,5-7,9H2.
What are the key properties of 8-pyrrolidin-2-yl-1,3,4,5-tetrahydropyrano[4,3-b]indole?
8-pyrrolidin-2-yl-1,3,4,5-tetrahydropyrano[4,3-b]indole has a molecular weight of 242.32 g/mol, XLogP of 2.67, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-pyrrolidin-2-yl-1,3,4,5-tetrahydropyrano[4,3-b]indole is sourced from PubChem (CID 117358131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).