N'-[(4R)-4-phenylcyclohexen-1-yl]acetohydrazide

C14H18N2O — CID 2163318

IUPACN'-[(4R)-4-phenylcyclohexen-1-yl]acetohydrazide
SMILESCC(=O)NNC1=CC[C@H](c2ccccc2)CC1
InChIInChI=1S/C14H18N2O/c1-11(17)15-16-14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-6,9,13,16H,7-8,10H2,1H3,(H,15,17)/t13-/m0/s1
InChIKeySTQZXRSLZLRLTG-ZDUSSCGKSA-N
MW230.31 g/mol
LogP2.48
Rot. Bonds3

About N'-[(4R)-4-phenylcyclohexen-1-yl]acetohydrazide

N'-[(4R)-4-phenylcyclohexen-1-yl]acetohydrazide (PubChem CID 2163318) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is N'-[(4R)-4-phenylcyclohexen-1-yl]acetohydrazide.

Molecular Properties

Compound NameN'-[(4R)-4-phenylcyclohexen-1-yl]acetohydrazide
PubChem CID2163318
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC NameN'-[(4R)-4-phenylcyclohexen-1-yl]acetohydrazide
SMILESCC(=O)NNC1=CC[C@H](c2ccccc2)CC1
InChIInChI=1S/C14H18N2O/c1-11(17)15-16-14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-6,9,13,16H,7-8,10H2,1H3,(H,15,17)/t13-/m0/s1
InChIKeySTQZXRSLZLRLTG-ZDUSSCGKSA-N
XLogP2.48
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.48
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'-[(4R)-4-phenylcyclohexen-1-yl]acetohydrazide?
The IUPAC name of N'-[(4R)-4-phenylcyclohexen-1-yl]acetohydrazide (CID 2163318) is N'-[(4R)-4-phenylcyclohexen-1-yl]acetohydrazide.
What is the SMILES notation for N'-[(4R)-4-phenylcyclohexen-1-yl]acetohydrazide?
The canonical SMILES for N'-[(4R)-4-phenylcyclohexen-1-yl]acetohydrazide is CC(=O)NNC1=CC[C@H](c2ccccc2)CC1.
What is the InChIKey of N'-[(4R)-4-phenylcyclohexen-1-yl]acetohydrazide?
The InChIKey is STQZXRSLZLRLTG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H18N2O/c1-11(17)15-16-14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-6,9,13,16H,7-8,10H2,1H3,(H,15,17)/t13-/m0/s1.
What are the key properties of N'-[(4R)-4-phenylcyclohexen-1-yl]acetohydrazide?
N'-[(4R)-4-phenylcyclohexen-1-yl]acetohydrazide has a molecular weight of 230.31 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4R)-4-phenylcyclohexen-1-yl]acetohydrazide is sourced from PubChem (CID 2163318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).