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

C10H14N2O — CID 112712225

IUPAC[4-(aminomethyl)-3a,7a-dihydro-1H-indol-2-yl]methanol
SMILESNCC1=CC=CC2NC(CO)=CC12
InChIInChI=1S/C10H14N2O/c11-5-7-2-1-3-10-9(7)4-8(6-13)12-10/h1-4,9-10,12-13H,5-6,11H2
InChIKeyVTFSKRNZDQIKEB-UHFFFAOYSA-N
MW178.23 g/mol
LogP-0.09
Rot. Bonds2

About [4-(aminomethyl)-3a,7a-dihydro-1H-indol-2-yl]methanol

[4-(aminomethyl)-3a,7a-dihydro-1H-indol-2-yl]methanol (PubChem CID 112712225) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is [4-(aminomethyl)-3a,7a-dihydro-1H-indol-2-yl]methanol.

Molecular Properties

Compound Name[4-(aminomethyl)-3a,7a-dihydro-1H-indol-2-yl]methanol
PubChem CID112712225
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name[4-(aminomethyl)-3a,7a-dihydro-1H-indol-2-yl]methanol
SMILESNCC1=CC=CC2NC(CO)=CC12
InChIInChI=1S/C10H14N2O/c11-5-7-2-1-3-10-9(7)4-8(6-13)12-10/h1-4,9-10,12-13H,5-6,11H2
InChIKeyVTFSKRNZDQIKEB-UHFFFAOYSA-N
XLogP-0.09
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze [4-(aminomethyl)-3a,7a-dihydro-1H-indol-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)-3a,7a-dihydro-1H-indol-2-yl]methanol?
The IUPAC name of [4-(aminomethyl)-3a,7a-dihydro-1H-indol-2-yl]methanol (CID 112712225) is [4-(aminomethyl)-3a,7a-dihydro-1H-indol-2-yl]methanol.
What is the SMILES notation for [4-(aminomethyl)-3a,7a-dihydro-1H-indol-2-yl]methanol?
The canonical SMILES for [4-(aminomethyl)-3a,7a-dihydro-1H-indol-2-yl]methanol is NCC1=CC=CC2NC(CO)=CC12.
What is the InChIKey of [4-(aminomethyl)-3a,7a-dihydro-1H-indol-2-yl]methanol?
The InChIKey is VTFSKRNZDQIKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c11-5-7-2-1-3-10-9(7)4-8(6-13)12-10/h1-4,9-10,12-13H,5-6,11H2.
What are the key properties of [4-(aminomethyl)-3a,7a-dihydro-1H-indol-2-yl]methanol?
[4-(aminomethyl)-3a,7a-dihydro-1H-indol-2-yl]methanol has a molecular weight of 178.23 g/mol, XLogP of -0.09, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)-3a,7a-dihydro-1H-indol-2-yl]methanol is sourced from PubChem (CID 112712225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).