ethyl N-ethyl-N-pyrrolidin-3-ylcarbamate

C9H18N2O2 — CID 60805526

IUPACethyl N-ethyl-N-pyrrolidin-3-ylcarbamate
SMILESCCOC(=O)N(CC)C1CCNC1
InChIInChI=1S/C9H18N2O2/c1-3-11(9(12)13-4-2)8-5-6-10-7-8/h8,10H,3-7H2,1-2H3
InChIKeyHGRBNCANSLLDBI-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.83
Rot. Bonds3

About ethyl N-ethyl-N-pyrrolidin-3-ylcarbamate

ethyl N-ethyl-N-pyrrolidin-3-ylcarbamate (PubChem CID 60805526) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is ethyl N-ethyl-N-pyrrolidin-3-ylcarbamate.

Molecular Properties

Compound Nameethyl N-ethyl-N-pyrrolidin-3-ylcarbamate
PubChem CID60805526
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Nameethyl N-ethyl-N-pyrrolidin-3-ylcarbamate
SMILESCCOC(=O)N(CC)C1CCNC1
InChIInChI=1S/C9H18N2O2/c1-3-11(9(12)13-4-2)8-5-6-10-7-8/h8,10H,3-7H2,1-2H3
InChIKeyHGRBNCANSLLDBI-UHFFFAOYSA-N
XLogP0.83
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylpropyl N-ethyl-N-[(3R)-piperidin-3-yl]carbamate
CID 162725358
ethyl N-(2-methoxyethyl)-N-piperidin-4-ylcarbamate
CID 156856713
methyl N-ethyl-N-piperidin-4-ylcarbamate;hydrochloride
CID 155407834
3-chloro-N-ethyl-N-pyrrolidin-3-ylpropanamide
CID 165439782
N,2-diethyl-N-pyrrolidin-3-ylbutanamide
CID 60805502
ethyl 2-[ethyl(pyrrolidin-3-yl)amino]acetate
CID 63300317
(E)-N-ethyl-N-pyrrolidin-3-ylbut-2-enamide
CID 63299656
2-cyclohexyl-N-ethyl-N-pyrrolidin-3-ylacetamide
CID 60807538
methyl (E)-4-[ethyl(pyrrolidin-3-yl)amino]-4-oxobut-2-enoate
CID 165440340
ethyl N-tert-butyl-N-piperidin-4-ylcarbamate
CID 167313798
N-cyclohexyl-N-ethyl-2-[methyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119923071
3-bromo-N-ethyl-5-fluoro-N-pyrrolidin-3-ylbenzamide
CID 63299650

Frequently Asked Questions

What is the IUPAC name of ethyl N-ethyl-N-pyrrolidin-3-ylcarbamate?
The IUPAC name of ethyl N-ethyl-N-pyrrolidin-3-ylcarbamate (CID 60805526) is ethyl N-ethyl-N-pyrrolidin-3-ylcarbamate.
What is the SMILES notation for ethyl N-ethyl-N-pyrrolidin-3-ylcarbamate?
The canonical SMILES for ethyl N-ethyl-N-pyrrolidin-3-ylcarbamate is CCOC(=O)N(CC)C1CCNC1.
What is the InChIKey of ethyl N-ethyl-N-pyrrolidin-3-ylcarbamate?
The InChIKey is HGRBNCANSLLDBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-3-11(9(12)13-4-2)8-5-6-10-7-8/h8,10H,3-7H2,1-2H3.
What are the key properties of ethyl N-ethyl-N-pyrrolidin-3-ylcarbamate?
ethyl N-ethyl-N-pyrrolidin-3-ylcarbamate has a molecular weight of 186.25 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-ethyl-N-pyrrolidin-3-ylcarbamate is sourced from PubChem (CID 60805526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).