N'-[(4S)-4-tert-butylcyclohexen-1-yl]acetohydrazide

C12H22N2O — CID 2343411

IUPACN'-[(4S)-4-tert-butylcyclohexen-1-yl]acetohydrazide
SMILESCC(=O)NNC1=CC[C@@H](C(C)(C)C)CC1
InChIInChI=1S/C12H22N2O/c1-9(15)13-14-11-7-5-10(6-8-11)12(2,3)4/h7,10,14H,5-6,8H2,1-4H3,(H,13,15)/t10-/m1/s1
InChIKeyDWKONLGOMBLIOQ-SNVBAGLBSA-N
MW210.32 g/mol
LogP2.36
Rot. Bonds2

About N'-[(4S)-4-tert-butylcyclohexen-1-yl]acetohydrazide

N'-[(4S)-4-tert-butylcyclohexen-1-yl]acetohydrazide (PubChem CID 2343411) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is N'-[(4S)-4-tert-butylcyclohexen-1-yl]acetohydrazide.

Molecular Properties

Compound NameN'-[(4S)-4-tert-butylcyclohexen-1-yl]acetohydrazide
PubChem CID2343411
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC NameN'-[(4S)-4-tert-butylcyclohexen-1-yl]acetohydrazide
SMILESCC(=O)NNC1=CC[C@@H](C(C)(C)C)CC1
InChIInChI=1S/C12H22N2O/c1-9(15)13-14-11-7-5-10(6-8-11)12(2,3)4/h7,10,14H,5-6,8H2,1-4H3,(H,13,15)/t10-/m1/s1
InChIKeyDWKONLGOMBLIOQ-SNVBAGLBSA-N
XLogP2.36
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.36
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 N'-[(4S)-4-tert-butylcyclohexen-1-yl]acetohydrazide?
The IUPAC name of N'-[(4S)-4-tert-butylcyclohexen-1-yl]acetohydrazide (CID 2343411) is N'-[(4S)-4-tert-butylcyclohexen-1-yl]acetohydrazide.
What is the SMILES notation for N'-[(4S)-4-tert-butylcyclohexen-1-yl]acetohydrazide?
The canonical SMILES for N'-[(4S)-4-tert-butylcyclohexen-1-yl]acetohydrazide is CC(=O)NNC1=CC[C@@H](C(C)(C)C)CC1.
What is the InChIKey of N'-[(4S)-4-tert-butylcyclohexen-1-yl]acetohydrazide?
The InChIKey is DWKONLGOMBLIOQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H22N2O/c1-9(15)13-14-11-7-5-10(6-8-11)12(2,3)4/h7,10,14H,5-6,8H2,1-4H3,(H,13,15)/t10-/m1/s1.
What are the key properties of N'-[(4S)-4-tert-butylcyclohexen-1-yl]acetohydrazide?
N'-[(4S)-4-tert-butylcyclohexen-1-yl]acetohydrazide has a molecular weight of 210.32 g/mol, XLogP of 2.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4S)-4-tert-butylcyclohexen-1-yl]acetohydrazide is sourced from PubChem (CID 2343411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).