1-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-3-ethylurea

C11H19N3O2 — CID 53016474

IUPAC1-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-3-ethylurea
SMILESCCNC(=O)NC1CCN(C(=O)C2CC2)C1
InChIInChI=1S/C11H19N3O2/c1-2-12-11(16)13-9-5-6-14(7-9)10(15)8-3-4-8/h8-9H,2-7H2,1H3,(H2,12,13,16)
InChIKeyMGKDPLVVOWBBMG-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.32
Rot. Bonds3

About 1-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-3-ethylurea

1-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-3-ethylurea (PubChem CID 53016474) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-3-ethylurea.

Molecular Properties

Compound Name1-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-3-ethylurea
PubChem CID53016474
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name1-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-3-ethylurea
SMILESCCNC(=O)NC1CCN(C(=O)C2CC2)C1
InChIInChI=1S/C11H19N3O2/c1-2-12-11(16)13-9-5-6-14(7-9)10(15)8-3-4-8/h8-9H,2-7H2,1H3,(H2,12,13,16)
InChIKeyMGKDPLVVOWBBMG-UHFFFAOYSA-N
XLogP0.32
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-3-ethylurea?
The IUPAC name of 1-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-3-ethylurea (CID 53016474) is 1-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-3-ethylurea.
What is the SMILES notation for 1-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-3-ethylurea?
The canonical SMILES for 1-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-3-ethylurea is CCNC(=O)NC1CCN(C(=O)C2CC2)C1.
What is the InChIKey of 1-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-3-ethylurea?
The InChIKey is MGKDPLVVOWBBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-2-12-11(16)13-9-5-6-14(7-9)10(15)8-3-4-8/h8-9H,2-7H2,1H3,(H2,12,13,16).
What are the key properties of 1-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-3-ethylurea?
1-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-3-ethylurea has a molecular weight of 225.29 g/mol, XLogP of 0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-3-ethylurea is sourced from PubChem (CID 53016474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).