N-(1,3-dihydroxy-2-methylpropan-2-yl)cyclopenta-1,3-diene-1-carboxamide

C10H15NO3 — CID 24794412

IUPACN-(1,3-dihydroxy-2-methylpropan-2-yl)cyclopenta-1,3-diene-1-carboxamide
SMILESCC(CO)(CO)NC(=O)C1=CC=CC1
InChIInChI=1S/C10H15NO3/c1-10(6-12,7-13)11-9(14)8-4-2-3-5-8/h2-4,12-13H,5-7H2,1H3,(H,11,14)
InChIKeyUPRZJMWSKVBSJF-UHFFFAOYSA-N
MW197.23 g/mol
LogP-0.27
Rot. Bonds4

About N-(1,3-dihydroxy-2-methylpropan-2-yl)cyclopenta-1,3-diene-1-carboxamide

N-(1,3-dihydroxy-2-methylpropan-2-yl)cyclopenta-1,3-diene-1-carboxamide (PubChem CID 24794412) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is N-(1,3-dihydroxy-2-methylpropan-2-yl)cyclopenta-1,3-diene-1-carboxamide.

Molecular Properties

Compound NameN-(1,3-dihydroxy-2-methylpropan-2-yl)cyclopenta-1,3-diene-1-carboxamide
PubChem CID24794412
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC NameN-(1,3-dihydroxy-2-methylpropan-2-yl)cyclopenta-1,3-diene-1-carboxamide
SMILESCC(CO)(CO)NC(=O)C1=CC=CC1
InChIInChI=1S/C10H15NO3/c1-10(6-12,7-13)11-9(14)8-4-2-3-5-8/h2-4,12-13H,5-7H2,1H3,(H,11,14)
InChIKeyUPRZJMWSKVBSJF-UHFFFAOYSA-N
XLogP-0.27
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydroxy-2-methylpropan-2-yl)cyclopenta-1,3-diene-1-carboxamide?
The IUPAC name of N-(1,3-dihydroxy-2-methylpropan-2-yl)cyclopenta-1,3-diene-1-carboxamide (CID 24794412) is N-(1,3-dihydroxy-2-methylpropan-2-yl)cyclopenta-1,3-diene-1-carboxamide.
What is the SMILES notation for N-(1,3-dihydroxy-2-methylpropan-2-yl)cyclopenta-1,3-diene-1-carboxamide?
The canonical SMILES for N-(1,3-dihydroxy-2-methylpropan-2-yl)cyclopenta-1,3-diene-1-carboxamide is CC(CO)(CO)NC(=O)C1=CC=CC1.
What is the InChIKey of N-(1,3-dihydroxy-2-methylpropan-2-yl)cyclopenta-1,3-diene-1-carboxamide?
The InChIKey is UPRZJMWSKVBSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-10(6-12,7-13)11-9(14)8-4-2-3-5-8/h2-4,12-13H,5-7H2,1H3,(H,11,14).
What are the key properties of N-(1,3-dihydroxy-2-methylpropan-2-yl)cyclopenta-1,3-diene-1-carboxamide?
N-(1,3-dihydroxy-2-methylpropan-2-yl)cyclopenta-1,3-diene-1-carboxamide has a molecular weight of 197.23 g/mol, XLogP of -0.27, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydroxy-2-methylpropan-2-yl)cyclopenta-1,3-diene-1-carboxamide is sourced from PubChem (CID 24794412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).