(4-propoxy-1H-indol-3-yl)-pyrrolidin-2-ylmethanol

C16H22N2O2 — CID 83162582

IUPAC(4-propoxy-1H-indol-3-yl)-pyrrolidin-2-ylmethanol
SMILESCCCOc1cccc2[nH]cc(C(O)C3CCCN3)c12
InChIInChI=1S/C16H22N2O2/c1-2-9-20-14-7-3-5-12-15(14)11(10-18-12)16(19)13-6-4-8-17-13/h3,5,7,10,13,16-19H,2,4,6,8-9H2,1H3
InChIKeyVDVHFHMQPYHBES-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.74
Rot. Bonds5

About (4-propoxy-1H-indol-3-yl)-pyrrolidin-2-ylmethanol

(4-propoxy-1H-indol-3-yl)-pyrrolidin-2-ylmethanol (PubChem CID 83162582) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is (4-propoxy-1H-indol-3-yl)-pyrrolidin-2-ylmethanol.

Molecular Properties

Compound Name(4-propoxy-1H-indol-3-yl)-pyrrolidin-2-ylmethanol
PubChem CID83162582
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name(4-propoxy-1H-indol-3-yl)-pyrrolidin-2-ylmethanol
SMILESCCCOc1cccc2[nH]cc(C(O)C3CCCN3)c12
InChIInChI=1S/C16H22N2O2/c1-2-9-20-14-7-3-5-12-15(14)11(10-18-12)16(19)13-6-4-8-17-13/h3,5,7,10,13,16-19H,2,4,6,8-9H2,1H3
InChIKeyVDVHFHMQPYHBES-UHFFFAOYSA-N
XLogP2.74
TPSA57.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

piperidin-4-yl-(4-propoxy-1H-indol-3-yl)methanol
CID 83164729
3-[hydroxy(pyrrolidin-2-yl)methyl]-1H-indole-4-carbonitrile
CID 114015809
6-bicyclo[3.1.0]hexanyl-(4-propoxy-1H-indol-3-yl)methanone
CID 83164068
(4-methoxy-1H-indol-3-yl)-piperidin-3-ylmethanol
CID 83162965
3-phenyl-4-propoxy-1H-indole
CID 90764828
(3-methyloxolan-2-yl)-(4-propoxy-1H-indol-3-yl)methanone
CID 83164226
(2-chlorophenyl)-pyrrolidin-2-ylmethanol;propane
CID 142544047
(3-propylphenyl)-pyrrolidin-2-ylmethanol
CID 106640142
4-propoxy-1H-indole-3-sulfonamide
CID 83174186
3-bromo-4-oxo-4-(4-propoxy-1H-indol-3-yl)butanoic acid
CID 83164418
pyrrolidin-2-yl(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol
CID 64866594
(2-methylphenyl)-[(2R)-pyrrolidin-2-yl]methanol
CID 164654197

Frequently Asked Questions

What is the IUPAC name of (4-propoxy-1H-indol-3-yl)-pyrrolidin-2-ylmethanol?
The IUPAC name of (4-propoxy-1H-indol-3-yl)-pyrrolidin-2-ylmethanol (CID 83162582) is (4-propoxy-1H-indol-3-yl)-pyrrolidin-2-ylmethanol.
What is the SMILES notation for (4-propoxy-1H-indol-3-yl)-pyrrolidin-2-ylmethanol?
The canonical SMILES for (4-propoxy-1H-indol-3-yl)-pyrrolidin-2-ylmethanol is CCCOc1cccc2[nH]cc(C(O)C3CCCN3)c12.
What is the InChIKey of (4-propoxy-1H-indol-3-yl)-pyrrolidin-2-ylmethanol?
The InChIKey is VDVHFHMQPYHBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-2-9-20-14-7-3-5-12-15(14)11(10-18-12)16(19)13-6-4-8-17-13/h3,5,7,10,13,16-19H,2,4,6,8-9H2,1H3.
What are the key properties of (4-propoxy-1H-indol-3-yl)-pyrrolidin-2-ylmethanol?
(4-propoxy-1H-indol-3-yl)-pyrrolidin-2-ylmethanol has a molecular weight of 274.36 g/mol, XLogP of 2.74, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propoxy-1H-indol-3-yl)-pyrrolidin-2-ylmethanol is sourced from PubChem (CID 83162582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).