[6-(2-aminoethyl)-3a,7a-dihydro-1H-indol-2-yl]methanol

C11H16N2O — CID 112712682

IUPAC[6-(2-aminoethyl)-3a,7a-dihydro-1H-indol-2-yl]methanol
SMILESNCCC1=CC2NC(CO)=CC2C=C1
InChIInChI=1S/C11H16N2O/c12-4-3-8-1-2-9-6-10(7-14)13-11(9)5-8/h1-2,5-6,9,11,13-14H,3-4,7,12H2
InChIKeyQBWQVKSGIJPOSW-UHFFFAOYSA-N
MW192.26 g/mol
LogP0.30
Rot. Bonds3

About [6-(2-aminoethyl)-3a,7a-dihydro-1H-indol-2-yl]methanol

[6-(2-aminoethyl)-3a,7a-dihydro-1H-indol-2-yl]methanol (PubChem CID 112712682) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is [6-(2-aminoethyl)-3a,7a-dihydro-1H-indol-2-yl]methanol.

Molecular Properties

Compound Name[6-(2-aminoethyl)-3a,7a-dihydro-1H-indol-2-yl]methanol
PubChem CID112712682
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name[6-(2-aminoethyl)-3a,7a-dihydro-1H-indol-2-yl]methanol
SMILESNCCC1=CC2NC(CO)=CC2C=C1
InChIInChI=1S/C11H16N2O/c12-4-3-8-1-2-9-6-10(7-14)13-11(9)5-8/h1-2,5-6,9,11,13-14H,3-4,7,12H2
InChIKeyQBWQVKSGIJPOSW-UHFFFAOYSA-N
XLogP0.30
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [6-(2-aminoethyl)-3a,7a-dihydro-1H-indol-2-yl]methanol?
The IUPAC name of [6-(2-aminoethyl)-3a,7a-dihydro-1H-indol-2-yl]methanol (CID 112712682) is [6-(2-aminoethyl)-3a,7a-dihydro-1H-indol-2-yl]methanol.
What is the SMILES notation for [6-(2-aminoethyl)-3a,7a-dihydro-1H-indol-2-yl]methanol?
The canonical SMILES for [6-(2-aminoethyl)-3a,7a-dihydro-1H-indol-2-yl]methanol is NCCC1=CC2NC(CO)=CC2C=C1.
What is the InChIKey of [6-(2-aminoethyl)-3a,7a-dihydro-1H-indol-2-yl]methanol?
The InChIKey is QBWQVKSGIJPOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c12-4-3-8-1-2-9-6-10(7-14)13-11(9)5-8/h1-2,5-6,9,11,13-14H,3-4,7,12H2.
What are the key properties of [6-(2-aminoethyl)-3a,7a-dihydro-1H-indol-2-yl]methanol?
[6-(2-aminoethyl)-3a,7a-dihydro-1H-indol-2-yl]methanol has a molecular weight of 192.26 g/mol, XLogP of 0.30, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-aminoethyl)-3a,7a-dihydro-1H-indol-2-yl]methanol is sourced from PubChem (CID 112712682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).