1-(aminomethyl)cyclohexa-2,4-dien-1-ol

C7H11NO — CID 70486178

IUPAC1-(aminomethyl)cyclohexa-2,4-dien-1-ol
SMILESNCC1(O)C=CC=CC1
InChIInChI=1S/C7H11NO/c8-6-7(9)4-2-1-3-5-7/h1-4,9H,5-6,8H2
InChIKeyYWXYOMDVYROCRL-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.19
Rot. Bonds1

About 1-(aminomethyl)cyclohexa-2,4-dien-1-ol

1-(aminomethyl)cyclohexa-2,4-dien-1-ol (PubChem CID 70486178) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 1-(aminomethyl)cyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name1-(aminomethyl)cyclohexa-2,4-dien-1-ol
PubChem CID70486178
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name1-(aminomethyl)cyclohexa-2,4-dien-1-ol
SMILESNCC1(O)C=CC=CC1
InChIInChI=1S/C7H11NO/c8-6-7(9)4-2-1-3-5-7/h1-4,9H,5-6,8H2
InChIKeyYWXYOMDVYROCRL-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 1-(aminomethyl)cyclohexa-2,4-dien-1-ol?
The IUPAC name of 1-(aminomethyl)cyclohexa-2,4-dien-1-ol (CID 70486178) is 1-(aminomethyl)cyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 1-(aminomethyl)cyclohexa-2,4-dien-1-ol?
The canonical SMILES for 1-(aminomethyl)cyclohexa-2,4-dien-1-ol is NCC1(O)C=CC=CC1.
What is the InChIKey of 1-(aminomethyl)cyclohexa-2,4-dien-1-ol?
The InChIKey is YWXYOMDVYROCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c8-6-7(9)4-2-1-3-5-7/h1-4,9H,5-6,8H2.
What are the key properties of 1-(aminomethyl)cyclohexa-2,4-dien-1-ol?
1-(aminomethyl)cyclohexa-2,4-dien-1-ol 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 1-(aminomethyl)cyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 70486178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).