(4-hydroxy-1,2-oxazolidin-2-yl)-(1-methylcyclopropyl)methanone

C8H13NO3 — CID 130553362

IUPAC(4-hydroxy-1,2-oxazolidin-2-yl)-(1-methylcyclopropyl)methanone
SMILESCC1(C(=O)N2CC(O)CO2)CC1
InChIInChI=1S/C8H13NO3/c1-8(2-3-8)7(11)9-4-6(10)5-12-9/h6,10H,2-5H2,1H3
InChIKeySMACNPXNPNQRND-UHFFFAOYSA-N
MW171.20 g/mol
LogP-0.08
Rot. Bonds1

About (4-hydroxy-1,2-oxazolidin-2-yl)-(1-methylcyclopropyl)methanone

(4-hydroxy-1,2-oxazolidin-2-yl)-(1-methylcyclopropyl)methanone (PubChem CID 130553362) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is (4-hydroxy-1,2-oxazolidin-2-yl)-(1-methylcyclopropyl)methanone.

Molecular Properties

Compound Name(4-hydroxy-1,2-oxazolidin-2-yl)-(1-methylcyclopropyl)methanone
PubChem CID130553362
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name(4-hydroxy-1,2-oxazolidin-2-yl)-(1-methylcyclopropyl)methanone
SMILESCC1(C(=O)N2CC(O)CO2)CC1
InChIInChI=1S/C8H13NO3/c1-8(2-3-8)7(11)9-4-6(10)5-12-9/h6,10H,2-5H2,1H3
InChIKeySMACNPXNPNQRND-UHFFFAOYSA-N
XLogP-0.08
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-1,2-oxazolidin-2-yl)-(1-methylcyclopropyl)methanone?
The IUPAC name of (4-hydroxy-1,2-oxazolidin-2-yl)-(1-methylcyclopropyl)methanone (CID 130553362) is (4-hydroxy-1,2-oxazolidin-2-yl)-(1-methylcyclopropyl)methanone.
What is the SMILES notation for (4-hydroxy-1,2-oxazolidin-2-yl)-(1-methylcyclopropyl)methanone?
The canonical SMILES for (4-hydroxy-1,2-oxazolidin-2-yl)-(1-methylcyclopropyl)methanone is CC1(C(=O)N2CC(O)CO2)CC1.
What is the InChIKey of (4-hydroxy-1,2-oxazolidin-2-yl)-(1-methylcyclopropyl)methanone?
The InChIKey is SMACNPXNPNQRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-8(2-3-8)7(11)9-4-6(10)5-12-9/h6,10H,2-5H2,1H3.
What are the key properties of (4-hydroxy-1,2-oxazolidin-2-yl)-(1-methylcyclopropyl)methanone?
(4-hydroxy-1,2-oxazolidin-2-yl)-(1-methylcyclopropyl)methanone has a molecular weight of 171.20 g/mol, XLogP of -0.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-1,2-oxazolidin-2-yl)-(1-methylcyclopropyl)methanone is sourced from PubChem (CID 130553362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).