(4-aminocyclohexa-2,5-dien-1-yl)methanol

C7H11NO — CID 122467605

IUPAC(4-aminocyclohexa-2,5-dien-1-yl)methanol
SMILESNC1C=CC(CO)C=C1
InChIInChI=1S/C7H11NO/c8-7-3-1-6(5-9)2-4-7/h1-4,6-7,9H,5,8H2
InChIKeyDHNMYAWOQAXBGZ-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.05
Rot. Bonds1

About (4-aminocyclohexa-2,5-dien-1-yl)methanol

(4-aminocyclohexa-2,5-dien-1-yl)methanol (PubChem CID 122467605) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is (4-aminocyclohexa-2,5-dien-1-yl)methanol.

Molecular Properties

Compound Name(4-aminocyclohexa-2,5-dien-1-yl)methanol
PubChem CID122467605
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name(4-aminocyclohexa-2,5-dien-1-yl)methanol
SMILESNC1C=CC(CO)C=C1
InChIInChI=1S/C7H11NO/c8-7-3-1-6(5-9)2-4-7/h1-4,6-7,9H,5,8H2
InChIKeyDHNMYAWOQAXBGZ-UHFFFAOYSA-N
XLogP0.05
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 ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-aminocyclohexa-2,5-dien-1-yl)methanol?
The IUPAC name of (4-aminocyclohexa-2,5-dien-1-yl)methanol (CID 122467605) is (4-aminocyclohexa-2,5-dien-1-yl)methanol.
What is the SMILES notation for (4-aminocyclohexa-2,5-dien-1-yl)methanol?
The canonical SMILES for (4-aminocyclohexa-2,5-dien-1-yl)methanol is NC1C=CC(CO)C=C1.
What is the InChIKey of (4-aminocyclohexa-2,5-dien-1-yl)methanol?
The InChIKey is DHNMYAWOQAXBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c8-7-3-1-6(5-9)2-4-7/h1-4,6-7,9H,5,8H2.
What are the key properties of (4-aminocyclohexa-2,5-dien-1-yl)methanol?
(4-aminocyclohexa-2,5-dien-1-yl)methanol has a molecular weight of 125.17 g/mol, XLogP of 0.05, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminocyclohexa-2,5-dien-1-yl)methanol is sourced from PubChem (CID 122467605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).