oxetan-3-yl N-[(1-methylpyrrol-3-yl)methyl]carbamate

C10H14N2O3 — CID 138052460

IUPACoxetan-3-yl N-[(1-methylpyrrol-3-yl)methyl]carbamate
SMILESCn1ccc(CNC(=O)OC2COC2)c1
InChIInChI=1S/C10H14N2O3/c1-12-3-2-8(5-12)4-11-10(13)15-9-6-14-7-9/h2-3,5,9H,4,6-7H2,1H3,(H,11,13)
InChIKeyILLKCOJAEKLABW-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.65
Rot. Bonds3

About oxetan-3-yl N-[(1-methylpyrrol-3-yl)methyl]carbamate

oxetan-3-yl N-[(1-methylpyrrol-3-yl)methyl]carbamate (PubChem CID 138052460) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is oxetan-3-yl N-[(1-methylpyrrol-3-yl)methyl]carbamate.

Molecular Properties

Compound Nameoxetan-3-yl N-[(1-methylpyrrol-3-yl)methyl]carbamate
PubChem CID138052460
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Nameoxetan-3-yl N-[(1-methylpyrrol-3-yl)methyl]carbamate
SMILESCn1ccc(CNC(=O)OC2COC2)c1
InChIInChI=1S/C10H14N2O3/c1-12-3-2-8(5-12)4-11-10(13)15-9-6-14-7-9/h2-3,5,9H,4,6-7H2,1H3,(H,11,13)
InChIKeyILLKCOJAEKLABW-UHFFFAOYSA-N
XLogP0.65
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of oxetan-3-yl N-[(1-methylpyrrol-3-yl)methyl]carbamate?
The IUPAC name of oxetan-3-yl N-[(1-methylpyrrol-3-yl)methyl]carbamate (CID 138052460) is oxetan-3-yl N-[(1-methylpyrrol-3-yl)methyl]carbamate.
What is the SMILES notation for oxetan-3-yl N-[(1-methylpyrrol-3-yl)methyl]carbamate?
The canonical SMILES for oxetan-3-yl N-[(1-methylpyrrol-3-yl)methyl]carbamate is Cn1ccc(CNC(=O)OC2COC2)c1.
What is the InChIKey of oxetan-3-yl N-[(1-methylpyrrol-3-yl)methyl]carbamate?
The InChIKey is ILLKCOJAEKLABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-12-3-2-8(5-12)4-11-10(13)15-9-6-14-7-9/h2-3,5,9H,4,6-7H2,1H3,(H,11,13).
What are the key properties of oxetan-3-yl N-[(1-methylpyrrol-3-yl)methyl]carbamate?
oxetan-3-yl N-[(1-methylpyrrol-3-yl)methyl]carbamate has a molecular weight of 210.23 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxetan-3-yl N-[(1-methylpyrrol-3-yl)methyl]carbamate is sourced from PubChem (CID 138052460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).