ethyl N-pyrrolidin-3-ylcarbamate

C7H14N2O2 — CID 11321104

IUPACethyl N-pyrrolidin-3-ylcarbamate
SMILESCCOC(=O)NC1CCNC1
InChIInChI=1S/C7H14N2O2/c1-2-11-7(10)9-6-3-4-8-5-6/h6,8H,2-5H2,1H3,(H,9,10)
InChIKeyAKYMRXSGUFSNSD-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.09
Rot. Bonds2

About ethyl N-pyrrolidin-3-ylcarbamate

ethyl N-pyrrolidin-3-ylcarbamate (PubChem CID 11321104) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is ethyl N-pyrrolidin-3-ylcarbamate.

Molecular Properties

Compound Nameethyl N-pyrrolidin-3-ylcarbamate
PubChem CID11321104
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Nameethyl N-pyrrolidin-3-ylcarbamate
SMILESCCOC(=O)NC1CCNC1
InChIInChI=1S/C7H14N2O2/c1-2-11-7(10)9-6-3-4-8-5-6/h6,8H,2-5H2,1H3,(H,9,10)
InChIKeyAKYMRXSGUFSNSD-UHFFFAOYSA-N
XLogP0.09
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-[(3R)-pyrrolidin-3-yl]carbamate;hydrochloride
CID 118918439
2,2-dimethylpropyl N-pyrrolidin-3-ylcarbamate
CID 142337471
ethyl 2-(pyrrolidin-3-ylamino)propanoate
CID 79741945
2-ethoxy-N-[(3R)-pyrrolidin-3-yl]acetamide
CID 79685871
ethyl N-[4-(methylamino)cyclohexyl]carbamate
CID 43653652
N-pyrrolidin-3-ylpropanamide
CID 18337238
ethyl N-(1-methylpiperidin-4-yl)carbamate
CID 58960911
2-methoxyethyl N-piperidin-4-ylcarbamate
CID 15676970
ethyl N-(7-azaspiro[3.5]nonan-2-yl)carbamate
CID 130016002
ethyl N-(thian-4-yl)carbamate
CID 115599837
pyrrolidin-3-ylcarbamic acid;hydrochloride
CID 141142005
ethyl N-(1-methylpyrrolidin-3-yl)carbamate
CID 61355543

Frequently Asked Questions

What is the IUPAC name of ethyl N-pyrrolidin-3-ylcarbamate?
The IUPAC name of ethyl N-pyrrolidin-3-ylcarbamate (CID 11321104) is ethyl N-pyrrolidin-3-ylcarbamate.
What is the SMILES notation for ethyl N-pyrrolidin-3-ylcarbamate?
The canonical SMILES for ethyl N-pyrrolidin-3-ylcarbamate is CCOC(=O)NC1CCNC1.
What is the InChIKey of ethyl N-pyrrolidin-3-ylcarbamate?
The InChIKey is AKYMRXSGUFSNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-2-11-7(10)9-6-3-4-8-5-6/h6,8H,2-5H2,1H3,(H,9,10).
What are the key properties of ethyl N-pyrrolidin-3-ylcarbamate?
ethyl N-pyrrolidin-3-ylcarbamate has a molecular weight of 158.20 g/mol, XLogP of 0.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-pyrrolidin-3-ylcarbamate is sourced from PubChem (CID 11321104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).