1-[1-(oxolan-2-yl)ethyl]-3-propan-2-ylurea

C10H20N2O2 — CID 115582549

IUPAC1-[1-(oxolan-2-yl)ethyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NC(C)C1CCCO1
InChIInChI=1S/C10H20N2O2/c1-7(2)11-10(13)12-8(3)9-5-4-6-14-9/h7-9H,4-6H2,1-3H3,(H2,11,12,13)
InChIKeyYJPBDVINKUMGOT-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.26
Rot. Bonds3

About 1-[1-(oxolan-2-yl)ethyl]-3-propan-2-ylurea

1-[1-(oxolan-2-yl)ethyl]-3-propan-2-ylurea (PubChem CID 115582549) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-[1-(oxolan-2-yl)ethyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[1-(oxolan-2-yl)ethyl]-3-propan-2-ylurea
PubChem CID115582549
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name1-[1-(oxolan-2-yl)ethyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NC(C)C1CCCO1
InChIInChI=1S/C10H20N2O2/c1-7(2)11-10(13)12-8(3)9-5-4-6-14-9/h7-9H,4-6H2,1-3H3,(H2,11,12,13)
InChIKeyYJPBDVINKUMGOT-UHFFFAOYSA-N
XLogP1.26
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(oxolan-2-yl)ethyl]-3-propan-2-ylurea?
The IUPAC name of 1-[1-(oxolan-2-yl)ethyl]-3-propan-2-ylurea (CID 115582549) is 1-[1-(oxolan-2-yl)ethyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[1-(oxolan-2-yl)ethyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[1-(oxolan-2-yl)ethyl]-3-propan-2-ylurea is CC(C)NC(=O)NC(C)C1CCCO1.
What is the InChIKey of 1-[1-(oxolan-2-yl)ethyl]-3-propan-2-ylurea?
The InChIKey is YJPBDVINKUMGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-7(2)11-10(13)12-8(3)9-5-4-6-14-9/h7-9H,4-6H2,1-3H3,(H2,11,12,13).
What are the key properties of 1-[1-(oxolan-2-yl)ethyl]-3-propan-2-ylurea?
1-[1-(oxolan-2-yl)ethyl]-3-propan-2-ylurea has a molecular weight of 200.28 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(oxolan-2-yl)ethyl]-3-propan-2-ylurea is sourced from PubChem (CID 115582549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).