N'-acetyl-1-hydroxycyclobutane-1-carbohydrazide

C7H12N2O3 — CID 131134101

IUPACN'-acetyl-1-hydroxycyclobutane-1-carbohydrazide
SMILESCC(=O)NNC(=O)C1(O)CCC1
InChIInChI=1S/C7H12N2O3/c1-5(10)8-9-6(11)7(12)3-2-4-7/h12H,2-4H2,1H3,(H,8,10)(H,9,11)
InChIKeyUCWAOSMUOLCLIQ-UHFFFAOYSA-N
MW172.18 g/mol
LogP-0.93
Rot. Bonds1

About N'-acetyl-1-hydroxycyclobutane-1-carbohydrazide

N'-acetyl-1-hydroxycyclobutane-1-carbohydrazide (PubChem CID 131134101) has the molecular formula C7H12N2O3 and a molecular weight of 172.18 g/mol. Its IUPAC name is N'-acetyl-1-hydroxycyclobutane-1-carbohydrazide.

Molecular Properties

Compound NameN'-acetyl-1-hydroxycyclobutane-1-carbohydrazide
PubChem CID131134101
Molecular FormulaC7H12N2O3
Molecular Weight172.18 g/mol
Exact Mass172.08
IUPAC NameN'-acetyl-1-hydroxycyclobutane-1-carbohydrazide
SMILESCC(=O)NNC(=O)C1(O)CCC1
InChIInChI=1S/C7H12N2O3/c1-5(10)8-9-6(11)7(12)3-2-4-7/h12H,2-4H2,1H3,(H,8,10)(H,9,11)
InChIKeyUCWAOSMUOLCLIQ-UHFFFAOYSA-N
XLogP-0.93
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 5-0.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-hydroxy-N-propan-2-ylcyclobutane-1-carboxamide
CID 59859685
N-(2,2-dimethylpropyl)-1-hydroxycyclobutane-1-carboxamide
CID 126988304
1-hydroxy-N'-propan-2-ylcyclopropane-1-carbohydrazide
CID 130198476
1-hydroxy-N-(2-methylpropyl)cyclobutane-1-carboxamide
CID 131043772
N-ethyl-1-hydroxycyclopentane-1-carboxamide
CID 131085818
bis(1-hydroxycyclobutyl)methanone
CID 141223690
N-(2,2-dimethyl-4-oxopentan-3-yl)-1-hydroxycyclopentane-1-carboxamide
CID 58331654
(2S)-N'-acetylspiro[2.3]hexane-2-carbohydrazide
CID 840558
1-(1-hydroxycyclobutyl)-2,2-dimethylpropan-1-one
CID 118667718
1-hydroxy-N-(2-hydroxypropyl)cyclopentane-1-carboxamide
CID 130676498
1-hydroxy-N-(2-methylcyclohexyl)cyclopentane-1-carboxamide
CID 71970125
1-fluoro-N-methylcyclobutane-1-carboxamide
CID 130266037

Frequently Asked Questions

What is the IUPAC name of N'-acetyl-1-hydroxycyclobutane-1-carbohydrazide?
The IUPAC name of N'-acetyl-1-hydroxycyclobutane-1-carbohydrazide (CID 131134101) is N'-acetyl-1-hydroxycyclobutane-1-carbohydrazide.
What is the SMILES notation for N'-acetyl-1-hydroxycyclobutane-1-carbohydrazide?
The canonical SMILES for N'-acetyl-1-hydroxycyclobutane-1-carbohydrazide is CC(=O)NNC(=O)C1(O)CCC1.
What is the InChIKey of N'-acetyl-1-hydroxycyclobutane-1-carbohydrazide?
The InChIKey is UCWAOSMUOLCLIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O3/c1-5(10)8-9-6(11)7(12)3-2-4-7/h12H,2-4H2,1H3,(H,8,10)(H,9,11).
What are the key properties of N'-acetyl-1-hydroxycyclobutane-1-carbohydrazide?
N'-acetyl-1-hydroxycyclobutane-1-carbohydrazide has a molecular weight of 172.18 g/mol, XLogP of -0.93, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acetyl-1-hydroxycyclobutane-1-carbohydrazide is sourced from PubChem (CID 131134101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).