trans-(1Z,1R,2R)-N,2-dihydroxy-2-methylcyclopentane-1-carboximidoyl chloride

C7H12ClNO2 — CID 167088658

IUPACtrans-(1Z,1R,2R)-N,2-dihydroxy-2-methylcyclopentane-1-carboximidoyl chloride
SMILESC[C@@]1(O)CCC[C@H]1/C(Cl)=N/O
InChIInChI=1S/C7H12ClNO2/c1-7(10)4-2-3-5(7)6(8)9-11/h5,10-11H,2-4H2,1H3/b9-6-/t5-,7+/m0/s1
InChIKeyFPMFCWHAJFRYKJ-AVVLFYFJSA-N
MW177.63 g/mol
LogP1.56
Rot. Bonds1

About trans-(1Z,1R,2R)-N,2-dihydroxy-2-methylcyclopentane-1-carboximidoyl chloride

trans-(1Z,1R,2R)-N,2-dihydroxy-2-methylcyclopentane-1-carboximidoyl chloride (PubChem CID 167088658) has the molecular formula C7H12ClNO2 and a molecular weight of 177.63 g/mol. Its IUPAC name is trans-(1Z,1R,2R)-N,2-dihydroxy-2-methylcyclopentane-1-carboximidoyl chloride.

Molecular Properties

Compound Nametrans-(1Z,1R,2R)-N,2-dihydroxy-2-methylcyclopentane-1-carboximidoyl chloride
PubChem CID167088658
Molecular FormulaC7H12ClNO2
Molecular Weight177.63 g/mol
Exact Mass177.06
IUPAC Nametrans-(1Z,1R,2R)-N,2-dihydroxy-2-methylcyclopentane-1-carboximidoyl chloride
SMILESC[C@@]1(O)CCC[C@H]1/C(Cl)=N/O
InChIInChI=1S/C7H12ClNO2/c1-7(10)4-2-3-5(7)6(8)9-11/h5,10-11H,2-4H2,1H3/b9-6-/t5-,7+/m0/s1
InChIKeyFPMFCWHAJFRYKJ-AVVLFYFJSA-N
XLogP1.56
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.63
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze trans-(1Z,1R,2R)-N,2-dihydroxy-2-methylcyclopentane-1-carboximidoyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trans-(1Z,1R,2R)-N,2-dihydroxy-2-methylcyclopentane-1-carboximidoyl chloride?
The IUPAC name of trans-(1Z,1R,2R)-N,2-dihydroxy-2-methylcyclopentane-1-carboximidoyl chloride (CID 167088658) is trans-(1Z,1R,2R)-N,2-dihydroxy-2-methylcyclopentane-1-carboximidoyl chloride.
What is the SMILES notation for trans-(1Z,1R,2R)-N,2-dihydroxy-2-methylcyclopentane-1-carboximidoyl chloride?
The canonical SMILES for trans-(1Z,1R,2R)-N,2-dihydroxy-2-methylcyclopentane-1-carboximidoyl chloride is C[C@@]1(O)CCC[C@H]1/C(Cl)=N/O.
What is the InChIKey of trans-(1Z,1R,2R)-N,2-dihydroxy-2-methylcyclopentane-1-carboximidoyl chloride?
The InChIKey is FPMFCWHAJFRYKJ-AVVLFYFJSA-N. The full InChI is InChI=1S/C7H12ClNO2/c1-7(10)4-2-3-5(7)6(8)9-11/h5,10-11H,2-4H2,1H3/b9-6-/t5-,7+/m0/s1.
What are the key properties of trans-(1Z,1R,2R)-N,2-dihydroxy-2-methylcyclopentane-1-carboximidoyl chloride?
trans-(1Z,1R,2R)-N,2-dihydroxy-2-methylcyclopentane-1-carboximidoyl chloride has a molecular weight of 177.63 g/mol, XLogP of 1.56, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1Z,1R,2R)-N,2-dihydroxy-2-methylcyclopentane-1-carboximidoyl chloride is sourced from PubChem (CID 167088658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).