N'-propanoyl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide

C11H14N2O2S — CID 27684415

IUPACN'-propanoyl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide
SMILESCCC(=O)NNC(=O)c1cc2c(s1)CCC2
InChIInChI=1S/C11H14N2O2S/c1-2-10(14)12-13-11(15)9-6-7-4-3-5-8(7)16-9/h6H,2-5H2,1H3,(H,12,14)(H,13,15)
InChIKeyNALUFCSSCZUDGR-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.41
Rot. Bonds2

About N'-propanoyl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide

N'-propanoyl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide (PubChem CID 27684415) has the molecular formula C11H14N2O2S and a molecular weight of 238.31 g/mol. Its IUPAC name is N'-propanoyl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-propanoyl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide
PubChem CID27684415
Molecular FormulaC11H14N2O2S
Molecular Weight238.31 g/mol
Exact Mass238.08
IUPAC NameN'-propanoyl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide
SMILESCCC(=O)NNC(=O)c1cc2c(s1)CCC2
InChIInChI=1S/C11H14N2O2S/c1-2-10(14)12-13-11(15)9-6-7-4-3-5-8(7)16-9/h6H,2-5H2,1H3,(H,12,14)(H,13,15)
InChIKeyNALUFCSSCZUDGR-UHFFFAOYSA-N
XLogP1.41
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-pentanoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbohydrazide
CID 31845764
N-ethyl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 39903793
N'-(4-ethyl-5-methylthiophene-2-carbonyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide
CID 17479567
N'-[2-(4-ethoxyphenoxy)acetyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide
CID 26872848
N-(3-oxopentan-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 64991578
N'-acetyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbohydrazide
CID 43004091
N'-[2-(4-chlorophenyl)acetyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide
CID 27684454
N-[(2R)-1-aminopropan-2-yl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 104872897
N'-[2-(3-fluorophenyl)acetyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide
CID 27684200
N'-[2-(2-oxo-1-pyridinyl)acetyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide
CID 46524104
N-(2-oxopropyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 64997058
N-butan-2-yl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 60629228

Frequently Asked Questions

What is the IUPAC name of N'-propanoyl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide?
The IUPAC name of N'-propanoyl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide (CID 27684415) is N'-propanoyl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide.
What is the SMILES notation for N'-propanoyl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide?
The canonical SMILES for N'-propanoyl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide is CCC(=O)NNC(=O)c1cc2c(s1)CCC2.
What is the InChIKey of N'-propanoyl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide?
The InChIKey is NALUFCSSCZUDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S/c1-2-10(14)12-13-11(15)9-6-7-4-3-5-8(7)16-9/h6H,2-5H2,1H3,(H,12,14)(H,13,15).
What are the key properties of N'-propanoyl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide?
N'-propanoyl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide has a molecular weight of 238.31 g/mol, XLogP of 1.41, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-propanoyl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide is sourced from PubChem (CID 27684415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).