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

C7H11NO — CID 45078720

IUPAC(6-aminocyclohexa-2,4-dien-1-yl)methanol
SMILESNC1C=CC=CC1CO
InChIInChI=1S/C7H11NO/c8-7-4-2-1-3-6(7)5-9/h1-4,6-7,9H,5,8H2
InChIKeyBEPWZVINEFITLY-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.05
Rot. Bonds1

About (6-aminocyclohexa-2,4-dien-1-yl)methanol

(6-aminocyclohexa-2,4-dien-1-yl)methanol (PubChem CID 45078720) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is (6-aminocyclohexa-2,4-dien-1-yl)methanol.

Molecular Properties

Compound Name(6-aminocyclohexa-2,4-dien-1-yl)methanol
PubChem CID45078720
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name(6-aminocyclohexa-2,4-dien-1-yl)methanol
SMILESNC1C=CC=CC1CO
InChIInChI=1S/C7H11NO/c8-7-4-2-1-3-6(7)5-9/h1-4,6-7,9H,5,8H2
InChIKeyBEPWZVINEFITLY-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

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Related Compounds

(6-Amino-3-fluorocyclohexa-2,4-dien-1-yl)methanol
CID 132264477
Amino-(4-fluorocyclohexa-2,4-dien-1-yl)methanol
CID 138579640
(6-Amino-2-fluoro-1-methylcyclohexa-2,4-dien-1-yl)methanol
CID 163695030
[(1R,2S)-2-aminocyclopent-3-en-1-yl]methanol
CID 12081657
(2-Aminocyclopent-3-en-1-yl)methanol
CID 85433880
2-Amino-2-(3-methylcyclohexa-1,5-dien-1-yl)ethanol
CID 68098762
(2R)-2-amino-2-cyclohexa-1,5-dien-1-ylethanol
CID 68177021
(6-Amino-6-methylcyclohexa-2,4-dien-1-yl)methanol
CID 77174818
2-Amino-2-cyclohexa-1,5-dien-1-ylethanol
CID 77417632
(4-Aminocyclohexa-1,5-dien-1-yl)methanol
CID 89073993
3-(4-Aminocyclohexa-1,5-dien-1-yl)propan-1-ol
CID 89195748
(2S)-2-amino-2-(3-methylcyclohexa-1,5-dien-1-yl)ethanol
CID 118478786

Frequently Asked Questions

What is the IUPAC name of (6-aminocyclohexa-2,4-dien-1-yl)methanol?
The IUPAC name of (6-aminocyclohexa-2,4-dien-1-yl)methanol (CID 45078720) is (6-aminocyclohexa-2,4-dien-1-yl)methanol.
What is the SMILES notation for (6-aminocyclohexa-2,4-dien-1-yl)methanol?
The canonical SMILES for (6-aminocyclohexa-2,4-dien-1-yl)methanol is NC1C=CC=CC1CO.
What is the InChIKey of (6-aminocyclohexa-2,4-dien-1-yl)methanol?
The InChIKey is BEPWZVINEFITLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c8-7-4-2-1-3-6(7)5-9/h1-4,6-7,9H,5,8H2.
What are the key properties of (6-aminocyclohexa-2,4-dien-1-yl)methanol?
(6-aminocyclohexa-2,4-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 (6-aminocyclohexa-2,4-dien-1-yl)methanol is sourced from PubChem (CID 45078720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).