5-[(1-aminocyclopropyl)methyl]-1H-indol-4-ol

C12H14N2O — CID 117290934

IUPAC5-[(1-aminocyclopropyl)methyl]-1H-indol-4-ol
SMILESNC1(Cc2ccc3[nH]ccc3c2O)CC1
InChIInChI=1S/C12H14N2O/c13-12(4-5-12)7-8-1-2-10-9(11(8)15)3-6-14-10/h1-3,6,14-15H,4-5,7,13H2
InChIKeyXHUDWAISJZBIOV-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.91
Rot. Bonds2

About 5-[(1-aminocyclopropyl)methyl]-1H-indol-4-ol

5-[(1-aminocyclopropyl)methyl]-1H-indol-4-ol (PubChem CID 117290934) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 5-[(1-aminocyclopropyl)methyl]-1H-indol-4-ol.

Molecular Properties

Compound Name5-[(1-aminocyclopropyl)methyl]-1H-indol-4-ol
PubChem CID117290934
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name5-[(1-aminocyclopropyl)methyl]-1H-indol-4-ol
SMILESNC1(Cc2ccc3[nH]ccc3c2O)CC1
InChIInChI=1S/C12H14N2O/c13-12(4-5-12)7-8-1-2-10-9(11(8)15)3-6-14-10/h1-3,6,14-15H,4-5,7,13H2
InChIKeyXHUDWAISJZBIOV-UHFFFAOYSA-N
XLogP1.91
TPSA62.04 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(1-aminocyclopropyl)methyl]-1H-indol-4-ol?
The IUPAC name of 5-[(1-aminocyclopropyl)methyl]-1H-indol-4-ol (CID 117290934) is 5-[(1-aminocyclopropyl)methyl]-1H-indol-4-ol.
What is the SMILES notation for 5-[(1-aminocyclopropyl)methyl]-1H-indol-4-ol?
The canonical SMILES for 5-[(1-aminocyclopropyl)methyl]-1H-indol-4-ol is NC1(Cc2ccc3[nH]ccc3c2O)CC1.
What is the InChIKey of 5-[(1-aminocyclopropyl)methyl]-1H-indol-4-ol?
The InChIKey is XHUDWAISJZBIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c13-12(4-5-12)7-8-1-2-10-9(11(8)15)3-6-14-10/h1-3,6,14-15H,4-5,7,13H2.
What are the key properties of 5-[(1-aminocyclopropyl)methyl]-1H-indol-4-ol?
5-[(1-aminocyclopropyl)methyl]-1H-indol-4-ol has a molecular weight of 202.26 g/mol, XLogP of 1.91, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-aminocyclopropyl)methyl]-1H-indol-4-ol is sourced from PubChem (CID 117290934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).