N-cyclohexyl-2-pyrrolidin-1-ium-1-ylacetamide

C12H23N2O+ — CID 7479160

IUPACN-cyclohexyl-2-pyrrolidin-1-ium-1-ylacetamide
SMILESO=C(C[NH+]1CCCC1)NC1CCCCC1
InChIInChI=1S/C12H22N2O/c15-12(10-14-8-4-5-9-14)13-11-6-2-1-3-7-11/h11H,1-10H2,(H,13,15)/p+1
InChIKeyNBZYCUYUXUDYNL-UHFFFAOYSA-O
MW211.33 g/mol
LogP0.11
Rot. Bonds3

About N-cyclohexyl-2-pyrrolidin-1-ium-1-ylacetamide

N-cyclohexyl-2-pyrrolidin-1-ium-1-ylacetamide (PubChem CID 7479160) has the molecular formula C12H23N2O+ and a molecular weight of 211.33 g/mol. Its IUPAC name is N-cyclohexyl-2-pyrrolidin-1-ium-1-ylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-pyrrolidin-1-ium-1-ylacetamide
PubChem CID7479160
Molecular FormulaC12H23N2O+
Molecular Weight211.33 g/mol
Exact Mass211.18
IUPAC NameN-cyclohexyl-2-pyrrolidin-1-ium-1-ylacetamide
SMILESO=C(C[NH+]1CCCC1)NC1CCCCC1
InChIInChI=1S/C12H22N2O/c15-12(10-14-8-4-5-9-14)13-11-6-2-1-3-7-11/h11H,1-10H2,(H,13,15)/p+1
InChIKeyNBZYCUYUXUDYNL-UHFFFAOYSA-O
XLogP0.11
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 60650052
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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-pyrrolidin-1-ium-1-ylacetamide?
The IUPAC name of N-cyclohexyl-2-pyrrolidin-1-ium-1-ylacetamide (CID 7479160) is N-cyclohexyl-2-pyrrolidin-1-ium-1-ylacetamide.
What is the SMILES notation for N-cyclohexyl-2-pyrrolidin-1-ium-1-ylacetamide?
The canonical SMILES for N-cyclohexyl-2-pyrrolidin-1-ium-1-ylacetamide is O=C(C[NH+]1CCCC1)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-pyrrolidin-1-ium-1-ylacetamide?
The InChIKey is NBZYCUYUXUDYNL-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H22N2O/c15-12(10-14-8-4-5-9-14)13-11-6-2-1-3-7-11/h11H,1-10H2,(H,13,15)/p+1.
What are the key properties of N-cyclohexyl-2-pyrrolidin-1-ium-1-ylacetamide?
N-cyclohexyl-2-pyrrolidin-1-ium-1-ylacetamide has a molecular weight of 211.33 g/mol, XLogP of 0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-pyrrolidin-1-ium-1-ylacetamide is sourced from PubChem (CID 7479160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).