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

C7H11NO — CID 135251477

IUPAC4-(aminomethyl)cyclohexa-1,5-dien-1-ol
SMILESNCC1C=CC(O)=CC1
InChIInChI=1S/C7H11NO/c8-5-6-1-3-7(9)4-2-6/h1,3-4,6,9H,2,5,8H2
InChIKeyIZVNOEFYWVSDCW-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.96
Rot. Bonds1

About 4-(aminomethyl)cyclohexa-1,5-dien-1-ol

4-(aminomethyl)cyclohexa-1,5-dien-1-ol (PubChem CID 135251477) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 4-(aminomethyl)cyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name4-(aminomethyl)cyclohexa-1,5-dien-1-ol
PubChem CID135251477
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name4-(aminomethyl)cyclohexa-1,5-dien-1-ol
SMILESNCC1C=CC(O)=CC1
InChIInChI=1S/C7H11NO/c8-5-6-1-3-7(9)4-2-6/h1,3-4,6,9H,2,5,8H2
InChIKeyIZVNOEFYWVSDCW-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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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)cyclohexa-1,5-dien-1-ol?
The IUPAC name of 4-(aminomethyl)cyclohexa-1,5-dien-1-ol (CID 135251477) is 4-(aminomethyl)cyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 4-(aminomethyl)cyclohexa-1,5-dien-1-ol?
The canonical SMILES for 4-(aminomethyl)cyclohexa-1,5-dien-1-ol is NCC1C=CC(O)=CC1.
What is the InChIKey of 4-(aminomethyl)cyclohexa-1,5-dien-1-ol?
The InChIKey is IZVNOEFYWVSDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c8-5-6-1-3-7(9)4-2-6/h1,3-4,6,9H,2,5,8H2.
What are the key properties of 4-(aminomethyl)cyclohexa-1,5-dien-1-ol?
4-(aminomethyl)cyclohexa-1,5-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 4-(aminomethyl)cyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 135251477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).