6-[(2-hydroxypropylamino)methylidene]cyclohexa-1,3-dien-1-ol

C10H15NO2 — CID 91302285

IUPAC6-[(2-hydroxypropylamino)methylidene]cyclohexa-1,3-dien-1-ol
SMILESCC(O)CNC=C1CC=CC=C1O
InChIInChI=1S/C10H15NO2/c1-8(12)6-11-7-9-4-2-3-5-10(9)13/h2-3,5,7-8,11-13H,4,6H2,1H3
InChIKeyQNBBBQHKNUNTQK-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.24
Rot. Bonds3

About 6-[(2-hydroxypropylamino)methylidene]cyclohexa-1,3-dien-1-ol

6-[(2-hydroxypropylamino)methylidene]cyclohexa-1,3-dien-1-ol (PubChem CID 91302285) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 6-[(2-hydroxypropylamino)methylidene]cyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name6-[(2-hydroxypropylamino)methylidene]cyclohexa-1,3-dien-1-ol
PubChem CID91302285
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name6-[(2-hydroxypropylamino)methylidene]cyclohexa-1,3-dien-1-ol
SMILESCC(O)CNC=C1CC=CC=C1O
InChIInChI=1S/C10H15NO2/c1-8(12)6-11-7-9-4-2-3-5-10(9)13/h2-3,5,7-8,11-13H,4,6H2,1H3
InChIKeyQNBBBQHKNUNTQK-UHFFFAOYSA-N
XLogP1.24
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-hydroxypropylamino)methylidene]cyclohexa-1,3-dien-1-ol?
The IUPAC name of 6-[(2-hydroxypropylamino)methylidene]cyclohexa-1,3-dien-1-ol (CID 91302285) is 6-[(2-hydroxypropylamino)methylidene]cyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 6-[(2-hydroxypropylamino)methylidene]cyclohexa-1,3-dien-1-ol?
The canonical SMILES for 6-[(2-hydroxypropylamino)methylidene]cyclohexa-1,3-dien-1-ol is CC(O)CNC=C1CC=CC=C1O.
What is the InChIKey of 6-[(2-hydroxypropylamino)methylidene]cyclohexa-1,3-dien-1-ol?
The InChIKey is QNBBBQHKNUNTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-8(12)6-11-7-9-4-2-3-5-10(9)13/h2-3,5,7-8,11-13H,4,6H2,1H3.
What are the key properties of 6-[(2-hydroxypropylamino)methylidene]cyclohexa-1,3-dien-1-ol?
6-[(2-hydroxypropylamino)methylidene]cyclohexa-1,3-dien-1-ol has a molecular weight of 181.23 g/mol, XLogP of 1.24, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-hydroxypropylamino)methylidene]cyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 91302285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).