2-pyrrolidin-3-ylethyl N-methylcarbamate

C8H16N2O2 — CID 114796629

IUPAC2-pyrrolidin-3-ylethyl N-methylcarbamate
SMILESCNC(=O)OCCC1CCNC1
InChIInChI=1S/C8H16N2O2/c1-9-8(11)12-5-3-7-2-4-10-6-7/h7,10H,2-6H2,1H3,(H,9,11)
InChIKeyXSKRGCISSYWFRP-UHFFFAOYSA-N
MW172.23 g/mol
LogP0.34
Rot. Bonds3

About 2-pyrrolidin-3-ylethyl N-methylcarbamate

2-pyrrolidin-3-ylethyl N-methylcarbamate (PubChem CID 114796629) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 2-pyrrolidin-3-ylethyl N-methylcarbamate.

Molecular Properties

Compound Name2-pyrrolidin-3-ylethyl N-methylcarbamate
PubChem CID114796629
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name2-pyrrolidin-3-ylethyl N-methylcarbamate
SMILESCNC(=O)OCCC1CCNC1
InChIInChI=1S/C8H16N2O2/c1-9-8(11)12-5-3-7-2-4-10-6-7/h7,10H,2-6H2,1H3,(H,9,11)
InChIKeyXSKRGCISSYWFRP-UHFFFAOYSA-N
XLogP0.34
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-pyrrolidin-3-ylethyl N-butylcarbamate
CID 114796626
2-[(3S)-pyrrolidin-3-yl]ethyl 2,2-dimethylpropanoate
CID 174748022
3-(2-pyrrolidin-3-ylethoxy)propanamide
CID 114795988
methyl 4-(2-pyrrolidin-3-ylethoxy)butanoate
CID 106940991
3-methoxy-N-(2-pyrrolidin-3-ylethyl)propanamide
CID 63630087
2-pyrrolidin-3-ylethyl N-(3,4-dichlorophenyl)carbamate
CID 114796625
(3R)-3-[2-(2-methoxyethoxy)ethyl]pyrrolidine
CID 86324088
3-[(3R)-pyrrolidin-3-yl]propanamide
CID 174976551
1-methyl-3-[[(3S)-pyrrolidin-3-yl]methyl]urea
CID 59006471
methyl pyrrolidin-3-ylmethyl carbonate
CID 79337934
2-[(3S)-piperidin-3-yl]ethyl 2-methylpropanoate
CID 86319632
2-[(3S)-piperidin-3-yl]ethyl 2,2,2-trichloroacetate
CID 86319491

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-3-ylethyl N-methylcarbamate?
The IUPAC name of 2-pyrrolidin-3-ylethyl N-methylcarbamate (CID 114796629) is 2-pyrrolidin-3-ylethyl N-methylcarbamate.
What is the SMILES notation for 2-pyrrolidin-3-ylethyl N-methylcarbamate?
The canonical SMILES for 2-pyrrolidin-3-ylethyl N-methylcarbamate is CNC(=O)OCCC1CCNC1.
What is the InChIKey of 2-pyrrolidin-3-ylethyl N-methylcarbamate?
The InChIKey is XSKRGCISSYWFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-9-8(11)12-5-3-7-2-4-10-6-7/h7,10H,2-6H2,1H3,(H,9,11).
What are the key properties of 2-pyrrolidin-3-ylethyl N-methylcarbamate?
2-pyrrolidin-3-ylethyl N-methylcarbamate has a molecular weight of 172.23 g/mol, XLogP of 0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-3-ylethyl N-methylcarbamate is sourced from PubChem (CID 114796629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).