1-methyl-3-(2-oxooxolan-3-yl)-1-propan-2-ylurea

C9H16N2O3 — CID 77399494

IUPAC1-methyl-3-(2-oxooxolan-3-yl)-1-propan-2-ylurea
SMILESCC(C)N(C)C(=O)NC1CCOC1=O
InChIInChI=1S/C9H16N2O3/c1-6(2)11(3)9(13)10-7-4-5-14-8(7)12/h6-7H,4-5H2,1-3H3,(H,10,13)
InChIKeyZIVXFJTXMQPQRF-UHFFFAOYSA-N
MW200.24 g/mol
LogP0.35
Rot. Bonds2

About 1-methyl-3-(2-oxooxolan-3-yl)-1-propan-2-ylurea

1-methyl-3-(2-oxooxolan-3-yl)-1-propan-2-ylurea (PubChem CID 77399494) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 1-methyl-3-(2-oxooxolan-3-yl)-1-propan-2-ylurea.

Molecular Properties

Compound Name1-methyl-3-(2-oxooxolan-3-yl)-1-propan-2-ylurea
PubChem CID77399494
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name1-methyl-3-(2-oxooxolan-3-yl)-1-propan-2-ylurea
SMILESCC(C)N(C)C(=O)NC1CCOC1=O
InChIInChI=1S/C9H16N2O3/c1-6(2)11(3)9(13)10-7-4-5-14-8(7)12/h6-7H,4-5H2,1-3H3,(H,10,13)
InChIKeyZIVXFJTXMQPQRF-UHFFFAOYSA-N
XLogP0.35
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2-oxooxolan-3-yl)-1-propan-2-ylurea?
The IUPAC name of 1-methyl-3-(2-oxooxolan-3-yl)-1-propan-2-ylurea (CID 77399494) is 1-methyl-3-(2-oxooxolan-3-yl)-1-propan-2-ylurea.
What is the SMILES notation for 1-methyl-3-(2-oxooxolan-3-yl)-1-propan-2-ylurea?
The canonical SMILES for 1-methyl-3-(2-oxooxolan-3-yl)-1-propan-2-ylurea is CC(C)N(C)C(=O)NC1CCOC1=O.
What is the InChIKey of 1-methyl-3-(2-oxooxolan-3-yl)-1-propan-2-ylurea?
The InChIKey is ZIVXFJTXMQPQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-6(2)11(3)9(13)10-7-4-5-14-8(7)12/h6-7H,4-5H2,1-3H3,(H,10,13).
What are the key properties of 1-methyl-3-(2-oxooxolan-3-yl)-1-propan-2-ylurea?
1-methyl-3-(2-oxooxolan-3-yl)-1-propan-2-ylurea has a molecular weight of 200.24 g/mol, XLogP of 0.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2-oxooxolan-3-yl)-1-propan-2-ylurea is sourced from PubChem (CID 77399494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).