(1S)-N'-acetyl-2,2-dimethylcyclopropane-1-carbohydrazide

C8H14N2O2 — CID 130637273

IUPAC(1S)-N'-acetyl-2,2-dimethylcyclopropane-1-carbohydrazide
SMILESCC(=O)NNC(=O)[C@H]1CC1(C)C
InChIInChI=1S/C8H14N2O2/c1-5(11)9-10-7(12)6-4-8(6,2)3/h6H,4H2,1-3H3,(H,9,11)(H,10,12)/t6-/m1/s1
InChIKeyDIBQWHUXVCUMEY-ZCFIWIBFSA-N
MW170.21 g/mol
LogP0.20
Rot. Bonds1

About (1S)-N'-acetyl-2,2-dimethylcyclopropane-1-carbohydrazide

(1S)-N'-acetyl-2,2-dimethylcyclopropane-1-carbohydrazide (PubChem CID 130637273) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is (1S)-N'-acetyl-2,2-dimethylcyclopropane-1-carbohydrazide.

Molecular Properties

Compound Name(1S)-N'-acetyl-2,2-dimethylcyclopropane-1-carbohydrazide
PubChem CID130637273
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name(1S)-N'-acetyl-2,2-dimethylcyclopropane-1-carbohydrazide
SMILESCC(=O)NNC(=O)[C@H]1CC1(C)C
InChIInChI=1S/C8H14N2O2/c1-5(11)9-10-7(12)6-4-8(6,2)3/h6H,4H2,1-3H3,(H,9,11)(H,10,12)/t6-/m1/s1
InChIKeyDIBQWHUXVCUMEY-ZCFIWIBFSA-N
XLogP0.20
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S)-N'-acetyl-2,2-dimethylcyclopropane-1-carbohydrazide?
The IUPAC name of (1S)-N'-acetyl-2,2-dimethylcyclopropane-1-carbohydrazide (CID 130637273) is (1S)-N'-acetyl-2,2-dimethylcyclopropane-1-carbohydrazide.
What is the SMILES notation for (1S)-N'-acetyl-2,2-dimethylcyclopropane-1-carbohydrazide?
The canonical SMILES for (1S)-N'-acetyl-2,2-dimethylcyclopropane-1-carbohydrazide is CC(=O)NNC(=O)[C@H]1CC1(C)C.
What is the InChIKey of (1S)-N'-acetyl-2,2-dimethylcyclopropane-1-carbohydrazide?
The InChIKey is DIBQWHUXVCUMEY-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-5(11)9-10-7(12)6-4-8(6,2)3/h6H,4H2,1-3H3,(H,9,11)(H,10,12)/t6-/m1/s1.
What are the key properties of (1S)-N'-acetyl-2,2-dimethylcyclopropane-1-carbohydrazide?
(1S)-N'-acetyl-2,2-dimethylcyclopropane-1-carbohydrazide has a molecular weight of 170.21 g/mol, XLogP of 0.20, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N'-acetyl-2,2-dimethylcyclopropane-1-carbohydrazide is sourced from PubChem (CID 130637273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).