3,5-dihydroxycyclohexane-1-carboxamide

C7H13NO3 — CID 117046519

IUPAC3,5-dihydroxycyclohexane-1-carboxamide
SMILESNC(=O)C1CC(O)CC(O)C1
InChIInChI=1S/C7H13NO3/c8-7(11)4-1-5(9)3-6(10)2-4/h4-6,9-10H,1-3H2,(H2,8,11)
InChIKeyHNXVYCCIWSKLIP-UHFFFAOYSA-N
MW159.19 g/mol
LogP-1.01
Rot. Bonds1

About 3,5-dihydroxycyclohexane-1-carboxamide

3,5-dihydroxycyclohexane-1-carboxamide (PubChem CID 117046519) has the molecular formula C7H13NO3 and a molecular weight of 159.19 g/mol. Its IUPAC name is 3,5-dihydroxycyclohexane-1-carboxamide.

Molecular Properties

Compound Name3,5-dihydroxycyclohexane-1-carboxamide
PubChem CID117046519
Molecular FormulaC7H13NO3
Molecular Weight159.19 g/mol
Exact Mass159.09
IUPAC Name3,5-dihydroxycyclohexane-1-carboxamide
SMILESNC(=O)C1CC(O)CC(O)C1
InChIInChI=1S/C7H13NO3/c8-7(11)4-1-5(9)3-6(10)2-4/h4-6,9-10H,1-3H2,(H2,8,11)
InChIKeyHNXVYCCIWSKLIP-UHFFFAOYSA-N
XLogP-1.01
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 5-1.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dihydroxycyclohexane-1-carboxamide?
The IUPAC name of 3,5-dihydroxycyclohexane-1-carboxamide (CID 117046519) is 3,5-dihydroxycyclohexane-1-carboxamide.
What is the SMILES notation for 3,5-dihydroxycyclohexane-1-carboxamide?
The canonical SMILES for 3,5-dihydroxycyclohexane-1-carboxamide is NC(=O)C1CC(O)CC(O)C1.
What is the InChIKey of 3,5-dihydroxycyclohexane-1-carboxamide?
The InChIKey is HNXVYCCIWSKLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c8-7(11)4-1-5(9)3-6(10)2-4/h4-6,9-10H,1-3H2,(H2,8,11).
What are the key properties of 3,5-dihydroxycyclohexane-1-carboxamide?
3,5-dihydroxycyclohexane-1-carboxamide has a molecular weight of 159.19 g/mol, XLogP of -1.01, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dihydroxycyclohexane-1-carboxamide is sourced from PubChem (CID 117046519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).