5-(aminomethyl)-3-(1H-pyrrol-2-yl)-1,3-oxazolidin-2-one

C8H11N3O2 — CID 116838093

IUPAC5-(aminomethyl)-3-(1H-pyrrol-2-yl)-1,3-oxazolidin-2-one
SMILESNCC1CN(c2ccc[nH]2)C(=O)O1
InChIInChI=1S/C8H11N3O2/c9-4-6-5-11(8(12)13-6)7-2-1-3-10-7/h1-3,6,10H,4-5,9H2
InChIKeyFKBRLPPAMRZNAS-UHFFFAOYSA-N
MW181.20 g/mol
LogP0.30
Rot. Bonds2

About 5-(aminomethyl)-3-(1H-pyrrol-2-yl)-1,3-oxazolidin-2-one

5-(aminomethyl)-3-(1H-pyrrol-2-yl)-1,3-oxazolidin-2-one (PubChem CID 116838093) has the molecular formula C8H11N3O2 and a molecular weight of 181.20 g/mol. Its IUPAC name is 5-(aminomethyl)-3-(1H-pyrrol-2-yl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(aminomethyl)-3-(1H-pyrrol-2-yl)-1,3-oxazolidin-2-one
PubChem CID116838093
Molecular FormulaC8H11N3O2
Molecular Weight181.20 g/mol
Exact Mass181.09
IUPAC Name5-(aminomethyl)-3-(1H-pyrrol-2-yl)-1,3-oxazolidin-2-one
SMILESNCC1CN(c2ccc[nH]2)C(=O)O1
InChIInChI=1S/C8H11N3O2/c9-4-6-5-11(8(12)13-6)7-2-1-3-10-7/h1-3,6,10H,4-5,9H2
InChIKeyFKBRLPPAMRZNAS-UHFFFAOYSA-N
XLogP0.30
TPSA71.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-1-(1H-pyrrol-2-yl)pyrrolidin-2-one
CID 83529866
5-(aminomethyl)-3-(2-bromophenyl)-1,3-oxazolidin-2-one
CID 82023132
5-(aminomethyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 71779050
5-(aminomethyl)-3-(2,6-difluorophenyl)-1,3-oxazolidin-2-one
CID 82023144
(5S)-5-(aminomethyl)-3-(4-hydroxyphenyl)-1,3-oxazolidin-2-one
CID 115056869
(5R)-5-(aminomethyl)-3-(3-methoxyphenyl)-1,3-oxazolidin-2-one
CID 42281783
(5R)-5-(aminomethyl)-3-(3,4-dichlorophenyl)-1,3-oxazolidin-2-one
CID 42281775
(5R)-5-(aminomethyl)-3-(4-ethynylphenyl)-1,3-oxazolidin-2-one
CID 129499040
4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]benzenesulfonamide
CID 93181902
4-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]benzamide
CID 175803957
(5S)-5-(aminomethyl)-3-(5-methylthiophen-2-yl)-1,3-oxazolidin-2-one
CID 115056763
3-(4-amino-3-fluorophenyl)-5-(aminomethyl)-1,3-oxazolidin-2-one
CID 77423554

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-3-(1H-pyrrol-2-yl)-1,3-oxazolidin-2-one?
The IUPAC name of 5-(aminomethyl)-3-(1H-pyrrol-2-yl)-1,3-oxazolidin-2-one (CID 116838093) is 5-(aminomethyl)-3-(1H-pyrrol-2-yl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(aminomethyl)-3-(1H-pyrrol-2-yl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(aminomethyl)-3-(1H-pyrrol-2-yl)-1,3-oxazolidin-2-one is NCC1CN(c2ccc[nH]2)C(=O)O1.
What is the InChIKey of 5-(aminomethyl)-3-(1H-pyrrol-2-yl)-1,3-oxazolidin-2-one?
The InChIKey is FKBRLPPAMRZNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c9-4-6-5-11(8(12)13-6)7-2-1-3-10-7/h1-3,6,10H,4-5,9H2.
What are the key properties of 5-(aminomethyl)-3-(1H-pyrrol-2-yl)-1,3-oxazolidin-2-one?
5-(aminomethyl)-3-(1H-pyrrol-2-yl)-1,3-oxazolidin-2-one has a molecular weight of 181.20 g/mol, XLogP of 0.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-3-(1H-pyrrol-2-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 116838093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).