ethyl N-(1-methylpyrrolidin-3-yl)carbamate

C8H16N2O2 — CID 61355543

IUPACethyl N-(1-methylpyrrolidin-3-yl)carbamate
SMILESCCOC(=O)NC1CCN(C)C1
InChIInChI=1S/C8H16N2O2/c1-3-12-8(11)9-7-4-5-10(2)6-7/h7H,3-6H2,1-2H3,(H,9,11)
InChIKeyBNOHCWKFSSTWNJ-UHFFFAOYSA-N
MW172.23 g/mol
LogP0.44
Rot. Bonds2

About ethyl N-(1-methylpyrrolidin-3-yl)carbamate

ethyl N-(1-methylpyrrolidin-3-yl)carbamate (PubChem CID 61355543) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is ethyl N-(1-methylpyrrolidin-3-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(1-methylpyrrolidin-3-yl)carbamate
PubChem CID61355543
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Nameethyl N-(1-methylpyrrolidin-3-yl)carbamate
SMILESCCOC(=O)NC1CCN(C)C1
InChIInChI=1S/C8H16N2O2/c1-3-12-8(11)9-7-4-5-10(2)6-7/h7H,3-6H2,1-2H3,(H,9,11)
InChIKeyBNOHCWKFSSTWNJ-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

Analyze ethyl N-(1-methylpyrrolidin-3-yl)carbamate with MolForge

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

Launch Full Analysis

Related Compounds

ethyl N-(1-methylpiperidin-4-yl)carbamate
CID 58960911
ethyl N-[(3S)-1-methanidylpyrrolidin-3-yl]carbamate
CID 59704388
N-(1-methylpyrrolidin-3-yl)butanamide
CID 18723360
ethyl N-(1-cyclopropylpiperidin-4-yl)carbamate
CID 60709264
ethyl N-[5-(2-hydroxyethyl)-1-methylpiperidin-3-yl]carbamate
CID 112543627
ethane;2-(pentyldisulfanyl)ethyl N-(1-methylpyrrolidin-3-yl)carbamate
CID 178108047
2-amino-2-ethyl-N-(1-methylpyrrolidin-3-yl)butanamide
CID 79814600
ethyl N-[1-methyl-5-(2,2,2-trifluoroethyl)piperidin-3-yl]carbamate
CID 112543642
3-amino-N-(1-methylpyrrolidin-3-yl)propanamide
CID 61465444
2-methoxy-N-[(3R)-1-methylpyrrolidin-3-yl]acetamide
CID 90442595
N-[(3R)-1-methylpyrrolidin-3-yl]-2-propylpentanamide
CID 167206837
methyl 3-[(1-methylpyrrolidin-3-yl)amino]-3-oxopropanoate
CID 115174182

Frequently Asked Questions

What is the IUPAC name of ethyl N-(1-methylpyrrolidin-3-yl)carbamate?
The IUPAC name of ethyl N-(1-methylpyrrolidin-3-yl)carbamate (CID 61355543) is ethyl N-(1-methylpyrrolidin-3-yl)carbamate.
What is the SMILES notation for ethyl N-(1-methylpyrrolidin-3-yl)carbamate?
The canonical SMILES for ethyl N-(1-methylpyrrolidin-3-yl)carbamate is CCOC(=O)NC1CCN(C)C1.
What is the InChIKey of ethyl N-(1-methylpyrrolidin-3-yl)carbamate?
The InChIKey is BNOHCWKFSSTWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-3-12-8(11)9-7-4-5-10(2)6-7/h7H,3-6H2,1-2H3,(H,9,11).
What are the key properties of ethyl N-(1-methylpyrrolidin-3-yl)carbamate?
ethyl N-(1-methylpyrrolidin-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 ethyl N-(1-methylpyrrolidin-3-yl)carbamate is sourced from PubChem (CID 61355543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).