trans-(1S,2R)-2-(hydroxymethyl)cyclopentane-1-carbohydrazide

C7H14N2O2 — CID 45084499

IUPACtrans-(1S,2R)-2-(hydroxymethyl)cyclopentane-1-carbohydrazide
SMILESNNC(=O)[C@H]1CCC[C@H]1CO
InChIInChI=1S/C7H14N2O2/c8-9-7(11)6-3-1-2-5(6)4-10/h5-6,10H,1-4,8H2,(H,9,11)/t5-,6-/m0/s1
InChIKeyVAPPPUPPBGBKGI-WDSKDSINSA-N
MW158.20 g/mol
LogP-0.62
Rot. Bonds2

About trans-(1S,2R)-2-(hydroxymethyl)cyclopentane-1-carbohydrazide

trans-(1S,2R)-2-(hydroxymethyl)cyclopentane-1-carbohydrazide (PubChem CID 45084499) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is trans-(1S,2R)-2-(hydroxymethyl)cyclopentane-1-carbohydrazide.

Molecular Properties

Compound Nametrans-(1S,2R)-2-(hydroxymethyl)cyclopentane-1-carbohydrazide
PubChem CID45084499
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Nametrans-(1S,2R)-2-(hydroxymethyl)cyclopentane-1-carbohydrazide
SMILESNNC(=O)[C@H]1CCC[C@H]1CO
InChIInChI=1S/C7H14N2O2/c8-9-7(11)6-3-1-2-5(6)4-10/h5-6,10H,1-4,8H2,(H,9,11)/t5-,6-/m0/s1
InChIKeyVAPPPUPPBGBKGI-WDSKDSINSA-N
XLogP-0.62
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-2-(hydroxymethyl)cyclopentane-1-carbohydrazide?
The IUPAC name of trans-(1S,2R)-2-(hydroxymethyl)cyclopentane-1-carbohydrazide (CID 45084499) is trans-(1S,2R)-2-(hydroxymethyl)cyclopentane-1-carbohydrazide.
What is the SMILES notation for trans-(1S,2R)-2-(hydroxymethyl)cyclopentane-1-carbohydrazide?
The canonical SMILES for trans-(1S,2R)-2-(hydroxymethyl)cyclopentane-1-carbohydrazide is NNC(=O)[C@H]1CCC[C@H]1CO.
What is the InChIKey of trans-(1S,2R)-2-(hydroxymethyl)cyclopentane-1-carbohydrazide?
The InChIKey is VAPPPUPPBGBKGI-WDSKDSINSA-N. The full InChI is InChI=1S/C7H14N2O2/c8-9-7(11)6-3-1-2-5(6)4-10/h5-6,10H,1-4,8H2,(H,9,11)/t5-,6-/m0/s1.
What are the key properties of trans-(1S,2R)-2-(hydroxymethyl)cyclopentane-1-carbohydrazide?
trans-(1S,2R)-2-(hydroxymethyl)cyclopentane-1-carbohydrazide has a molecular weight of 158.20 g/mol, XLogP of -0.62, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-2-(hydroxymethyl)cyclopentane-1-carbohydrazide is sourced from PubChem (CID 45084499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).