phenyl N-(4-methylpyrrolidin-3-yl)carbamate

C12H16N2O2 — CID 104826348

IUPACphenyl N-(4-methylpyrrolidin-3-yl)carbamate
SMILESCC1CNCC1NC(=O)Oc1ccccc1
InChIInChI=1S/C12H16N2O2/c1-9-7-13-8-11(9)14-12(15)16-10-5-3-2-4-6-10/h2-6,9,11,13H,7-8H2,1H3,(H,14,15)
InChIKeyATGOXPDBSSGOSA-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.38
Rot. Bonds2

About phenyl N-(4-methylpyrrolidin-3-yl)carbamate

phenyl N-(4-methylpyrrolidin-3-yl)carbamate (PubChem CID 104826348) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is phenyl N-(4-methylpyrrolidin-3-yl)carbamate.

Molecular Properties

Compound Namephenyl N-(4-methylpyrrolidin-3-yl)carbamate
PubChem CID104826348
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Namephenyl N-(4-methylpyrrolidin-3-yl)carbamate
SMILESCC1CNCC1NC(=O)Oc1ccccc1
InChIInChI=1S/C12H16N2O2/c1-9-7-13-8-11(9)14-12(15)16-10-5-3-2-4-6-10/h2-6,9,11,13H,7-8H2,1H3,(H,14,15)
InChIKeyATGOXPDBSSGOSA-UHFFFAOYSA-N
XLogP1.38
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methylpyrrolidin-3-yl)-2-phenoxyacetamide
CID 104826135
phenyl N-(5-methylpiperidin-3-yl)carbamate
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CID 163827018
3-methoxy-N-(4-methylpyrrolidin-3-yl)benzamide
CID 113457504
benzene;phenyl N-cyclopropylcarbamate
CID 171499901
phenyl N-(3,4-dimethylcyclohexyl)carbamate
CID 64747807
benzyl N-[(3S,4R)-4-methylpiperidin-3-yl]carbamate
CID 97357162
phenyl N-cyclopentylcarbamate
CID 12791466
phenyl N-(oxan-4-yl)carbamate
CID 61067434
phenyl N-(2-aminocycloheptyl)carbamate
CID 63259010
phenyl N-cyclooctylcarbamate
CID 60636968
N-(3-methylpiperidin-4-yl)-3-phenoxypropanamide
CID 79886279

Frequently Asked Questions

What is the IUPAC name of phenyl N-(4-methylpyrrolidin-3-yl)carbamate?
The IUPAC name of phenyl N-(4-methylpyrrolidin-3-yl)carbamate (CID 104826348) is phenyl N-(4-methylpyrrolidin-3-yl)carbamate.
What is the SMILES notation for phenyl N-(4-methylpyrrolidin-3-yl)carbamate?
The canonical SMILES for phenyl N-(4-methylpyrrolidin-3-yl)carbamate is CC1CNCC1NC(=O)Oc1ccccc1.
What is the InChIKey of phenyl N-(4-methylpyrrolidin-3-yl)carbamate?
The InChIKey is ATGOXPDBSSGOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-9-7-13-8-11(9)14-12(15)16-10-5-3-2-4-6-10/h2-6,9,11,13H,7-8H2,1H3,(H,14,15).
What are the key properties of phenyl N-(4-methylpyrrolidin-3-yl)carbamate?
phenyl N-(4-methylpyrrolidin-3-yl)carbamate has a molecular weight of 220.27 g/mol, XLogP of 1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(4-methylpyrrolidin-3-yl)carbamate is sourced from PubChem (CID 104826348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).