3-amino-1-(1H-indol-4-yl)propan-1-ol

C11H14N2O — CID 54551349

IUPAC3-amino-1-(1H-indol-4-yl)propan-1-ol
SMILESNCCC(O)c1cccc2[nH]ccc12
InChIInChI=1S/C11H14N2O/c12-6-4-11(14)9-2-1-3-10-8(9)5-7-13-10/h1-3,5,7,11,13-14H,4,6,12H2
InChIKeyZKCQKDHLFWHNOF-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.55
Rot. Bonds3

About 3-amino-1-(1H-indol-4-yl)propan-1-ol

3-amino-1-(1H-indol-4-yl)propan-1-ol (PubChem CID 54551349) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 3-amino-1-(1H-indol-4-yl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(1H-indol-4-yl)propan-1-ol
PubChem CID54551349
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name3-amino-1-(1H-indol-4-yl)propan-1-ol
SMILESNCCC(O)c1cccc2[nH]ccc12
InChIInChI=1S/C11H14N2O/c12-6-4-11(14)9-2-1-3-10-8(9)5-7-13-10/h1-3,5,7,11,13-14H,4,6,12H2
InChIKeyZKCQKDHLFWHNOF-UHFFFAOYSA-N
XLogP1.55
TPSA62.04 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(1H-indol-4-yl)propan-1-ol?
The IUPAC name of 3-amino-1-(1H-indol-4-yl)propan-1-ol (CID 54551349) is 3-amino-1-(1H-indol-4-yl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(1H-indol-4-yl)propan-1-ol?
The canonical SMILES for 3-amino-1-(1H-indol-4-yl)propan-1-ol is NCCC(O)c1cccc2[nH]ccc12.
What is the InChIKey of 3-amino-1-(1H-indol-4-yl)propan-1-ol?
The InChIKey is ZKCQKDHLFWHNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c12-6-4-11(14)9-2-1-3-10-8(9)5-7-13-10/h1-3,5,7,11,13-14H,4,6,12H2.
What are the key properties of 3-amino-1-(1H-indol-4-yl)propan-1-ol?
3-amino-1-(1H-indol-4-yl)propan-1-ol has a molecular weight of 190.25 g/mol, XLogP of 1.55, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(1H-indol-4-yl)propan-1-ol is sourced from PubChem (CID 54551349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).