2-[(1R,2S,3R)-3-hydroxy-2-pentylcyclopentyl]acetohydrazide

C12H24N2O2 — CID 7296014

IUPAC2-[(1R,2S,3R)-3-hydroxy-2-pentylcyclopentyl]acetohydrazide
SMILESCCCCC[C@H]1[C@@H](CC(=O)NN)CC[C@H]1O
InChIInChI=1S/C12H24N2O2/c1-2-3-4-5-10-9(6-7-11(10)15)8-12(16)14-13/h9-11,15H,2-8,13H2,1H3,(H,14,16)/t9-,10+,11-/m1/s1
InChIKeyLEMDCLIXAOKCTJ-OUAUKWLOSA-N
MW228.34 g/mol
LogP1.33
Rot. Bonds6

About 2-[(1R,2S,3R)-3-hydroxy-2-pentylcyclopentyl]acetohydrazide

2-[(1R,2S,3R)-3-hydroxy-2-pentylcyclopentyl]acetohydrazide (PubChem CID 7296014) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-[(1R,2S,3R)-3-hydroxy-2-pentylcyclopentyl]acetohydrazide.

Molecular Properties

Compound Name2-[(1R,2S,3R)-3-hydroxy-2-pentylcyclopentyl]acetohydrazide
PubChem CID7296014
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-[(1R,2S,3R)-3-hydroxy-2-pentylcyclopentyl]acetohydrazide
SMILESCCCCC[C@H]1[C@@H](CC(=O)NN)CC[C@H]1O
InChIInChI=1S/C12H24N2O2/c1-2-3-4-5-10-9(6-7-11(10)15)8-12(16)14-13/h9-11,15H,2-8,13H2,1H3,(H,14,16)/t9-,10+,11-/m1/s1
InChIKeyLEMDCLIXAOKCTJ-OUAUKWLOSA-N
XLogP1.33
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;1-(3-hydroxy-2-pentylcyclopentyl)propan-2-one
CID 91218401
2-[(2R)-3-hydroxy-2-pentylcyclopentyl]acetic acid
CID 129129516
methyl 2-[(1R,2S,3S)-3-hydroxy-2-pentylcyclopentyl]acetate
CID 11872416
methyl 2-[(1R,2R,3S)-3-hydroxy-2-pentylcyclopentyl]acetate
CID 7001548
Cyclopentaneacetic acid, 3-hydroxy-2-pentyl-, sodium salt (1:1)
CID 126511471
2-nonylcyclopentane-1,3-diol
CID 163304158
2-[(1R,2R)-3-hydroxy-2-pentylcyclopentyl]acetic acid;2-[(1R,2R)-3-oxo-2-pentylcyclopentyl]acetic acid
CID 157449570
1-[3-heptyl-2-(2-oxononyl)cyclopentyl]nonan-2-one
CID 153430167
methyl 7-[(1R,2S,5R)-2-hydroxy-5-(3-sulfanyloctyl)cyclopentyl]heptanoate
CID 18594946
2-(2-hydroxycycloheptyl)acetohydrazide
CID 130147718
propan-2-yl 7-[(1R,2S,5S)-2-hydroxy-5-octylcyclopentyl]-2-methoxy-3-oxoheptanoate
CID 57192223
1-(2-ethyl-3-hydroxycyclopentyl)propan-2-one
CID 123791585

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2S,3R)-3-hydroxy-2-pentylcyclopentyl]acetohydrazide?
The IUPAC name of 2-[(1R,2S,3R)-3-hydroxy-2-pentylcyclopentyl]acetohydrazide (CID 7296014) is 2-[(1R,2S,3R)-3-hydroxy-2-pentylcyclopentyl]acetohydrazide.
What is the SMILES notation for 2-[(1R,2S,3R)-3-hydroxy-2-pentylcyclopentyl]acetohydrazide?
The canonical SMILES for 2-[(1R,2S,3R)-3-hydroxy-2-pentylcyclopentyl]acetohydrazide is CCCCC[C@H]1[C@@H](CC(=O)NN)CC[C@H]1O.
What is the InChIKey of 2-[(1R,2S,3R)-3-hydroxy-2-pentylcyclopentyl]acetohydrazide?
The InChIKey is LEMDCLIXAOKCTJ-OUAUKWLOSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-2-3-4-5-10-9(6-7-11(10)15)8-12(16)14-13/h9-11,15H,2-8,13H2,1H3,(H,14,16)/t9-,10+,11-/m1/s1.
What are the key properties of 2-[(1R,2S,3R)-3-hydroxy-2-pentylcyclopentyl]acetohydrazide?
2-[(1R,2S,3R)-3-hydroxy-2-pentylcyclopentyl]acetohydrazide has a molecular weight of 228.34 g/mol, XLogP of 1.33, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2S,3R)-3-hydroxy-2-pentylcyclopentyl]acetohydrazide is sourced from PubChem (CID 7296014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).