4-hydroxycyclohexa-1,3-diene-1-carboxamide

C7H9NO2 — CID 129239423

IUPAC4-hydroxycyclohexa-1,3-diene-1-carboxamide
SMILESNC(=O)C1=CC=C(O)CC1
InChIInChI=1S/C7H9NO2/c8-7(10)5-1-3-6(9)4-2-5/h1,3,9H,2,4H2,(H2,8,10)
InChIKeyYZZQHEXPRBIQAR-UHFFFAOYSA-N
MW139.15 g/mol
LogP0.63
Rot. Bonds1

About 4-hydroxycyclohexa-1,3-diene-1-carboxamide

4-hydroxycyclohexa-1,3-diene-1-carboxamide (PubChem CID 129239423) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is 4-hydroxycyclohexa-1,3-diene-1-carboxamide.

Molecular Properties

Compound Name4-hydroxycyclohexa-1,3-diene-1-carboxamide
PubChem CID129239423
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Name4-hydroxycyclohexa-1,3-diene-1-carboxamide
SMILESNC(=O)C1=CC=C(O)CC1
InChIInChI=1S/C7H9NO2/c8-7(10)5-1-3-6(9)4-2-5/h1,3,9H,2,4H2,(H2,8,10)
InChIKeyYZZQHEXPRBIQAR-UHFFFAOYSA-N
XLogP0.63
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxycyclohexa-1,3-diene-1-carboxamide?
The IUPAC name of 4-hydroxycyclohexa-1,3-diene-1-carboxamide (CID 129239423) is 4-hydroxycyclohexa-1,3-diene-1-carboxamide.
What is the SMILES notation for 4-hydroxycyclohexa-1,3-diene-1-carboxamide?
The canonical SMILES for 4-hydroxycyclohexa-1,3-diene-1-carboxamide is NC(=O)C1=CC=C(O)CC1.
What is the InChIKey of 4-hydroxycyclohexa-1,3-diene-1-carboxamide?
The InChIKey is YZZQHEXPRBIQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2/c8-7(10)5-1-3-6(9)4-2-5/h1,3,9H,2,4H2,(H2,8,10).
What are the key properties of 4-hydroxycyclohexa-1,3-diene-1-carboxamide?
4-hydroxycyclohexa-1,3-diene-1-carboxamide has a molecular weight of 139.15 g/mol, XLogP of 0.63, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxycyclohexa-1,3-diene-1-carboxamide is sourced from PubChem (CID 129239423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).