N'-(2-chloroacetyl)cyclobutanecarbohydrazide

C7H11ClN2O2 — CID 52908224

IUPACN'-(2-chloroacetyl)cyclobutanecarbohydrazide
SMILESO=C(CCl)NNC(=O)C1CCC1
InChIInChI=1S/C7H11ClN2O2/c8-4-6(11)9-10-7(12)5-2-1-3-5/h5H,1-4H2,(H,9,11)(H,10,12)
InChIKeyIYKJKRKBBOLUPQ-UHFFFAOYSA-N
MW190.63 g/mol
LogP0.17
Rot. Bonds2

About N'-(2-chloroacetyl)cyclobutanecarbohydrazide

N'-(2-chloroacetyl)cyclobutanecarbohydrazide (PubChem CID 52908224) has the molecular formula C7H11ClN2O2 and a molecular weight of 190.63 g/mol. Its IUPAC name is N'-(2-chloroacetyl)cyclobutanecarbohydrazide.

Molecular Properties

Compound NameN'-(2-chloroacetyl)cyclobutanecarbohydrazide
PubChem CID52908224
Molecular FormulaC7H11ClN2O2
Molecular Weight190.63 g/mol
Exact Mass190.05
IUPAC NameN'-(2-chloroacetyl)cyclobutanecarbohydrazide
SMILESO=C(CCl)NNC(=O)C1CCC1
InChIInChI=1S/C7H11ClN2O2/c8-4-6(11)9-10-7(12)5-2-1-3-5/h5H,1-4H2,(H,9,11)(H,10,12)
InChIKeyIYKJKRKBBOLUPQ-UHFFFAOYSA-N
XLogP0.17
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.63
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(chloromethyl)cyclobutanecarboxamide
CID 69083699
N'-(cyclobutanecarbonyl)oxetane-3-carbohydrazide
CID 145240371
N'-(2-aminoacetyl)cyclopropanecarbohydrazide
CID 82111219
N'-[2-(4-chlorophenyl)acetyl]cyclopentanecarbohydrazide
CID 26657650
N'-hydroxycyclohexanecarbohydrazide
CID 151692012
N'-acetylcyclopropanecarbohydrazide
CID 118429111
1-(cyclobutanecarbonylamino)-3-cyclopropylthiourea
CID 30002190
N-(2-hydroxyethyl)cyclobutanecarboxamide
CID 43389004
N'-[2-(2-methylphenoxy)acetyl]cyclobutanecarbohydrazide
CID 8696588
N'-[2-(4-chlorophenyl)acetyl]cyclopropanecarbohydrazide
CID 4938227
4-chloro-N'-(cyclobutanecarbonyl)benzohydrazide
CID 2666799
N'-[3-(pyrimidin-2-ylamino)propanoyl]cyclopropanecarbohydrazide
CID 51117816

Frequently Asked Questions

What is the IUPAC name of N'-(2-chloroacetyl)cyclobutanecarbohydrazide?
The IUPAC name of N'-(2-chloroacetyl)cyclobutanecarbohydrazide (CID 52908224) is N'-(2-chloroacetyl)cyclobutanecarbohydrazide.
What is the SMILES notation for N'-(2-chloroacetyl)cyclobutanecarbohydrazide?
The canonical SMILES for N'-(2-chloroacetyl)cyclobutanecarbohydrazide is O=C(CCl)NNC(=O)C1CCC1.
What is the InChIKey of N'-(2-chloroacetyl)cyclobutanecarbohydrazide?
The InChIKey is IYKJKRKBBOLUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN2O2/c8-4-6(11)9-10-7(12)5-2-1-3-5/h5H,1-4H2,(H,9,11)(H,10,12).
What are the key properties of N'-(2-chloroacetyl)cyclobutanecarbohydrazide?
N'-(2-chloroacetyl)cyclobutanecarbohydrazide has a molecular weight of 190.63 g/mol, XLogP of 0.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chloroacetyl)cyclobutanecarbohydrazide is sourced from PubChem (CID 52908224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).