methyl N-(1-ethylpyrrolidin-3-yl)carbamate

C8H16N2O2 — CID 67579436

IUPACmethyl N-(1-ethylpyrrolidin-3-yl)carbamate
SMILESCCN1CCC(NC(=O)OC)C1
InChIInChI=1S/C8H16N2O2/c1-3-10-5-4-7(6-10)9-8(11)12-2/h7H,3-6H2,1-2H3,(H,9,11)
InChIKeyFUWZGOOJWVZRMU-UHFFFAOYSA-N
MW172.23 g/mol
LogP0.44
Rot. Bonds2

About methyl N-(1-ethylpyrrolidin-3-yl)carbamate

methyl N-(1-ethylpyrrolidin-3-yl)carbamate (PubChem CID 67579436) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is methyl N-(1-ethylpyrrolidin-3-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(1-ethylpyrrolidin-3-yl)carbamate
PubChem CID67579436
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Namemethyl N-(1-ethylpyrrolidin-3-yl)carbamate
SMILESCCN1CCC(NC(=O)OC)C1
InChIInChI=1S/C8H16N2O2/c1-3-10-5-4-7(6-10)9-8(11)12-2/h7H,3-6H2,1-2H3,(H,9,11)
InChIKeyFUWZGOOJWVZRMU-UHFFFAOYSA-N
XLogP0.44
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-(1-ethylazepan-4-yl)carbamate
CID 166167554
methyl N-[1-[(2R)-2-hydroxypropyl]pyrrolidin-3-yl]carbamate
CID 106932880
methyl N-[1-[2-(bromomethyl)-2-ethylbutyl]pyrrolidin-3-yl]carbamate
CID 113402602
methyl 2-hydroxy-3-[3-(methoxycarbonylamino)pyrrolidin-1-yl]-2-methylpropanoate
CID 113402427
N-(1-ethylpyrrolidin-3-yl)prop-2-enamide
CID 130959352
(2S)-2-amino-N-(1-ethylpyrrolidin-3-yl)propanamide
CID 130979651
methyl N-[1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidin-3-yl]carbamate
CID 113402577
tert-butyl N-[(3R)-1-propylpyrrolidin-3-yl]carbamate
CID 59535746
methyl N-[1-[2-(2-aminoethylamino)-2-oxoethyl]pyrrolidin-3-yl]carbamate
CID 113402132
methyl N-[1-(2-oxoethyl)piperidin-4-yl]carbamate
CID 54147473
methyl N-[1-(2,2-dimethylpropyl)piperidin-4-yl]carbamate
CID 168761202
2-hydroxyethyl N-(1-ethylpiperidin-3-yl)carbamate
CID 79348890

Frequently Asked Questions

What is the IUPAC name of methyl N-(1-ethylpyrrolidin-3-yl)carbamate?
The IUPAC name of methyl N-(1-ethylpyrrolidin-3-yl)carbamate (CID 67579436) is methyl N-(1-ethylpyrrolidin-3-yl)carbamate.
What is the SMILES notation for methyl N-(1-ethylpyrrolidin-3-yl)carbamate?
The canonical SMILES for methyl N-(1-ethylpyrrolidin-3-yl)carbamate is CCN1CCC(NC(=O)OC)C1.
What is the InChIKey of methyl N-(1-ethylpyrrolidin-3-yl)carbamate?
The InChIKey is FUWZGOOJWVZRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-3-10-5-4-7(6-10)9-8(11)12-2/h7H,3-6H2,1-2H3,(H,9,11).
What are the key properties of methyl N-(1-ethylpyrrolidin-3-yl)carbamate?
methyl N-(1-ethylpyrrolidin-3-yl)carbamate has a molecular weight of 172.23 g/mol, XLogP of 0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(1-ethylpyrrolidin-3-yl)carbamate is sourced from PubChem (CID 67579436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).