methyl N-[2-(pyrrolidine-1-carbonyl)phenyl]carbamate

C13H16N2O3 — CID 551078

IUPACmethyl N-[2-(pyrrolidine-1-carbonyl)phenyl]carbamate
SMILESCOC(=O)Nc1ccccc1C(=O)N1CCCC1
InChIInChI=1S/C13H16N2O3/c1-18-13(17)14-11-7-3-2-6-10(11)12(16)15-8-4-5-9-15/h2-3,6-7H,4-5,8-9H2,1H3,(H,14,17)
InChIKeyIBGYFILJRFUDBE-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.10
Rot. Bonds2

About methyl N-[2-(pyrrolidine-1-carbonyl)phenyl]carbamate

methyl N-[2-(pyrrolidine-1-carbonyl)phenyl]carbamate (PubChem CID 551078) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is methyl N-[2-(pyrrolidine-1-carbonyl)phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-(pyrrolidine-1-carbonyl)phenyl]carbamate
PubChem CID551078
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Namemethyl N-[2-(pyrrolidine-1-carbonyl)phenyl]carbamate
SMILESCOC(=O)Nc1ccccc1C(=O)N1CCCC1
InChIInChI=1S/C13H16N2O3/c1-18-13(17)14-11-7-3-2-6-10(11)12(16)15-8-4-5-9-15/h2-3,6-7H,4-5,8-9H2,1H3,(H,14,17)
InChIKeyIBGYFILJRFUDBE-UHFFFAOYSA-N
XLogP2.10
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-[2-(morpholine-4-carbonyl)phenyl]carbamate
CID 740590
phenyl N-[2-(piperidine-1-carbonyl)phenyl]carbamate
CID 5064949
1-N,4-N-bis[2-(azepane-1-carbonyl)phenyl]benzene-1,4-dicarboxamide
CID 4938376
2-(2-methoxyethoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 17355401
dimethyl (E)-2-[2-(piperidine-1-carbonyl)anilino]but-2-enedioate
CID 168568395
N-[2-(azepane-1-carbonyl)phenyl]-2-chlorobenzamide
CID 2985638
N-[2-(pyrrolidine-1-carbonyl)phenyl]pentanamide
CID 30336776
1-propyl-3-[2-(pyrrolidine-1-carbonyl)phenyl]urea
CID 47201043
N-[2-(azocane-1-carbonyl)phenyl]-3-methylbenzamide
CID 99140359
N-[2-(azepane-1-carbonyl)phenyl]-2-(2-methoxyphenoxy)acetamide
CID 4937891
2-methoxyethyl 4-oxo-4-[2-(piperidine-1-carbonyl)anilino]butanoate
CID 17339118
N-[2-(azepane-1-carbonyl)phenyl]-3,4,5-trimethoxybenzamide
CID 4937859

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-(pyrrolidine-1-carbonyl)phenyl]carbamate?
The IUPAC name of methyl N-[2-(pyrrolidine-1-carbonyl)phenyl]carbamate (CID 551078) is methyl N-[2-(pyrrolidine-1-carbonyl)phenyl]carbamate.
What is the SMILES notation for methyl N-[2-(pyrrolidine-1-carbonyl)phenyl]carbamate?
The canonical SMILES for methyl N-[2-(pyrrolidine-1-carbonyl)phenyl]carbamate is COC(=O)Nc1ccccc1C(=O)N1CCCC1.
What is the InChIKey of methyl N-[2-(pyrrolidine-1-carbonyl)phenyl]carbamate?
The InChIKey is IBGYFILJRFUDBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-18-13(17)14-11-7-3-2-6-10(11)12(16)15-8-4-5-9-15/h2-3,6-7H,4-5,8-9H2,1H3,(H,14,17).
What are the key properties of methyl N-[2-(pyrrolidine-1-carbonyl)phenyl]carbamate?
methyl N-[2-(pyrrolidine-1-carbonyl)phenyl]carbamate has a molecular weight of 248.28 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-(pyrrolidine-1-carbonyl)phenyl]carbamate is sourced from PubChem (CID 551078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).