(4-aminocyclohexa-1,5-dien-1-yl)methanol

C7H11NO — CID 89073993

IUPAC(4-aminocyclohexa-1,5-dien-1-yl)methanol
SMILESNC1C=CC(CO)=CC1
InChIInChI=1S/C7H11NO/c8-7-3-1-6(5-9)2-4-7/h1-3,7,9H,4-5,8H2
InChIKeyOYPVDQPFFSURFG-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.19
Rot. Bonds1

About (4-aminocyclohexa-1,5-dien-1-yl)methanol

(4-aminocyclohexa-1,5-dien-1-yl)methanol (PubChem CID 89073993) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is (4-aminocyclohexa-1,5-dien-1-yl)methanol.

Molecular Properties

Compound Name(4-aminocyclohexa-1,5-dien-1-yl)methanol
PubChem CID89073993
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name(4-aminocyclohexa-1,5-dien-1-yl)methanol
SMILESNC1C=CC(CO)=CC1
InChIInChI=1S/C7H11NO/c8-7-3-1-6(5-9)2-4-7/h1-3,7,9H,4-5,8H2
InChIKeyOYPVDQPFFSURFG-UHFFFAOYSA-N
XLogP0.19
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-aminocyclohexa-1,5-dien-1-yl)methanol?
The IUPAC name of (4-aminocyclohexa-1,5-dien-1-yl)methanol (CID 89073993) is (4-aminocyclohexa-1,5-dien-1-yl)methanol.
What is the SMILES notation for (4-aminocyclohexa-1,5-dien-1-yl)methanol?
The canonical SMILES for (4-aminocyclohexa-1,5-dien-1-yl)methanol is NC1C=CC(CO)=CC1.
What is the InChIKey of (4-aminocyclohexa-1,5-dien-1-yl)methanol?
The InChIKey is OYPVDQPFFSURFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c8-7-3-1-6(5-9)2-4-7/h1-3,7,9H,4-5,8H2.
What are the key properties of (4-aminocyclohexa-1,5-dien-1-yl)methanol?
(4-aminocyclohexa-1,5-dien-1-yl)methanol has a molecular weight of 125.17 g/mol, XLogP of 0.19, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminocyclohexa-1,5-dien-1-yl)methanol is sourced from PubChem (CID 89073993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).