C11H22ClN3O2 — CID 171369565

IUPAC—
SMILESCC(C)(C)OC(=O)N1CCCCC1C=NN.Cl
InChIInChI=1S/C11H21N3O2.ClH/c1-11(2,3)16-10(15)14-7-5-4-6-9(14)8-13-12;/h8-9H,4-7,12H2,1-3H3;1H
InChIKeyCLPSWQPRUSWSJZ-UHFFFAOYSA-N
MW263.77 g/mol
LogP2.14
Rot. Bonds1

About

(PubChem CID 171369565) has the molecular formula C11H22ClN3O2 and a molecular weight of 263.77 g/mol.

Molecular Properties

Compound Name
PubChem CID171369565
Molecular FormulaC11H22ClN3O2
Molecular Weight263.77 g/mol
Exact Mass263.14
IUPAC Name—
SMILESCC(C)(C)OC(=O)N1CCCCC1C=NN.Cl
InChIInChI=1S/C11H21N3O2.ClH/c1-11(2,3)16-10(15)14-7-5-4-6-9(14)8-13-12;/h8-9H,4-7,12H2,1-3H3;1H
InChIKeyCLPSWQPRUSWSJZ-UHFFFAOYSA-N
XLogP2.14
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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tert-butyl (2R)-2-[[(R)-tert-butylsulfinyl]iminomethyl]pyrrolidine-1-carboxylate
CID 121394192
tert-butyl (2R)-2-[(E)-[(R)-tert-butylsulfinyl]iminomethyl]pyrrolidine-1-carboxylate
CID 121394190
tert-butyl (2S)-2-[(E)-2-hydroxy-2-methoxyethenyl]piperidine-1-carboxylate
CID 10400233
tert-butyl (2R)-2-[(E)-3-ethoxy-3-oxoprop-1-enyl]piperidine-1-carboxylate
CID 52916325
tert-butyl 2-formylpiperidine-1-carboxylate;tert-butyl 2-(hydroxymethyl)piperidine-1-carboxylate;methane
CID 160782701
tert-butyl (2R)-2-(2-sulfamoylethenyl)pyrrolidine-1-carboxylate
CID 175741866
tert-butyl 2-[(Z)-2-sulfamoylethenyl]pyrrolidine-1-carboxylate
CID 175162311
tert-butyl 2-[(E)-pent-1-enyl]piperidine-1-carboxylate
CID 162398405
tert-butyl 2-(2-chloroethenyl)pyrrolidine-1-carboxylate
CID 150319571
tert-butyl 2-hydroxypiperidine-1-carboxylate
CID 10655694

Frequently Asked Questions

What is the IUPAC name of ?
The IUPAC name of (CID 171369565) is not available.
What is the SMILES notation for ?
The canonical SMILES for is CC(C)(C)OC(=O)N1CCCCC1C=NN.Cl.
What is the InChIKey of ?
The InChIKey is CLPSWQPRUSWSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2.ClH/c1-11(2,3)16-10(15)14-7-5-4-6-9(14)8-13-12;/h8-9H,4-7,12H2,1-3H3;1H.
What are the key properties of ?
has a molecular weight of 263.77 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for is sourced from PubChem (CID 171369565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).