3-(1H-pyrrol-2-ylmethyl)-1,3-oxazolidine

C8H12N2O — CID 139266830

IUPAC3-(1H-pyrrol-2-ylmethyl)-1,3-oxazolidine
SMILESc1c[nH]c(CN2CCOC2)c1
InChIInChI=1S/C8H12N2O/c1-2-8(9-3-1)6-10-4-5-11-7-10/h1-3,9H,4-7H2
InChIKeyUPTOLNCIDRFWCO-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.80
Rot. Bonds2

About 3-(1H-pyrrol-2-ylmethyl)-1,3-oxazolidine

3-(1H-pyrrol-2-ylmethyl)-1,3-oxazolidine (PubChem CID 139266830) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 3-(1H-pyrrol-2-ylmethyl)-1,3-oxazolidine.

Molecular Properties

Compound Name3-(1H-pyrrol-2-ylmethyl)-1,3-oxazolidine
PubChem CID139266830
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name3-(1H-pyrrol-2-ylmethyl)-1,3-oxazolidine
SMILESc1c[nH]c(CN2CCOC2)c1
InChIInChI=1S/C8H12N2O/c1-2-8(9-3-1)6-10-4-5-11-7-10/h1-3,9H,4-7H2
InChIKeyUPTOLNCIDRFWCO-UHFFFAOYSA-N
XLogP0.80
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

dimethyl[(1H-pyrrol-2-yl)methyl]amine
CID 260796
N-methyl,N-(propargyl),N-(pyrrol-2-ylmethyl)amine
CID 10464479
N-(propargyl),N-(pyrrol-2-ylmethyl)amine
CID 16110306
(1H-pyrrol-2-yl)methanamine
CID 10996966
Methyl-prop-2-ynyl-[1-(1H-pyrrol-2-yl)-vinyl]-amine
CID 44382972
2-(N-Propylformimidoyl)pyrrole
CID 96945
4-(1H-pyrrol-2-ylcarbothioyl)morpholine
CID 851000
1-methyl-4-(1H-pyrrol-2-ylmethyl)piperazine
CID 677258
4-[(1H-pyrrol-2-yl)methyl]morpholine
CID 66636594
Pyrrole, 2-((N-acetyl-N-ethylamino)methyl)-
CID 119986
2-Oxazolidone, 3-(pyrrol-2-ylmethyleneamino)-
CID 135538369
2-Oxazolidinone, 4-(1-piperidinylmethyl)-3-((1H-pyrrol-2-ylmethylene)amino)-
CID 135770357

Frequently Asked Questions

What is the IUPAC name of 3-(1H-pyrrol-2-ylmethyl)-1,3-oxazolidine?
The IUPAC name of 3-(1H-pyrrol-2-ylmethyl)-1,3-oxazolidine (CID 139266830) is 3-(1H-pyrrol-2-ylmethyl)-1,3-oxazolidine.
What is the SMILES notation for 3-(1H-pyrrol-2-ylmethyl)-1,3-oxazolidine?
The canonical SMILES for 3-(1H-pyrrol-2-ylmethyl)-1,3-oxazolidine is c1c[nH]c(CN2CCOC2)c1.
What is the InChIKey of 3-(1H-pyrrol-2-ylmethyl)-1,3-oxazolidine?
The InChIKey is UPTOLNCIDRFWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-2-8(9-3-1)6-10-4-5-11-7-10/h1-3,9H,4-7H2.
What are the key properties of 3-(1H-pyrrol-2-ylmethyl)-1,3-oxazolidine?
3-(1H-pyrrol-2-ylmethyl)-1,3-oxazolidine has a molecular weight of 152.20 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-pyrrol-2-ylmethyl)-1,3-oxazolidine is sourced from PubChem (CID 139266830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).