5-(aminomethyl)cyclohexa-1,3-dien-1-ol

C7H11NO — CID 163486992

IUPAC5-(aminomethyl)cyclohexa-1,3-dien-1-ol
SMILESNCC1C=CC=C(O)C1
InChIInChI=1S/C7H11NO/c8-5-6-2-1-3-7(9)4-6/h1-3,6,9H,4-5,8H2
InChIKeyCJJQYNAZBSJHMT-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.96
Rot. Bonds1

About 5-(aminomethyl)cyclohexa-1,3-dien-1-ol

5-(aminomethyl)cyclohexa-1,3-dien-1-ol (PubChem CID 163486992) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 5-(aminomethyl)cyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name5-(aminomethyl)cyclohexa-1,3-dien-1-ol
PubChem CID163486992
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name5-(aminomethyl)cyclohexa-1,3-dien-1-ol
SMILESNCC1C=CC=C(O)C1
InChIInChI=1S/C7H11NO/c8-5-6-2-1-3-7(9)4-6/h1-3,6,9H,4-5,8H2
InChIKeyCJJQYNAZBSJHMT-UHFFFAOYSA-N
XLogP0.96
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 ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(Aminomethyl)-4-iodocyclohexa-1,3-dien-1-ol
CID 71179428
5-(Aminomethyl)-2-iodocyclohexa-1,3-dien-1-ol
CID 71179429
4-(Aminomethyl)cyclohexa-1,5-dien-1-ol
CID 135251477
(3E)-7-amino-5-methylidenehepta-1,3-dien-4-ol
CID 142872814
2-(2-Aminoethyl)cyclohexa-1,3-dien-1-ol
CID 153221096
2-(Aminomethyl)cyclohexa-1,3-dien-1-ol
CID 165123662
(3S)-3-(aminomethyl)cyclobuten-1-ol
CID 173927542

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)cyclohexa-1,3-dien-1-ol?
The IUPAC name of 5-(aminomethyl)cyclohexa-1,3-dien-1-ol (CID 163486992) is 5-(aminomethyl)cyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 5-(aminomethyl)cyclohexa-1,3-dien-1-ol?
The canonical SMILES for 5-(aminomethyl)cyclohexa-1,3-dien-1-ol is NCC1C=CC=C(O)C1.
What is the InChIKey of 5-(aminomethyl)cyclohexa-1,3-dien-1-ol?
The InChIKey is CJJQYNAZBSJHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c8-5-6-2-1-3-7(9)4-6/h1-3,6,9H,4-5,8H2.
What are the key properties of 5-(aminomethyl)cyclohexa-1,3-dien-1-ol?
5-(aminomethyl)cyclohexa-1,3-dien-1-ol has a molecular weight of 125.17 g/mol, XLogP of 0.96, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)cyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 163486992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).