1-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-propan-2-ylurea

C14H25N3O2 — CID 53016497

IUPAC1-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NC1CCN(C(=O)C2CCCC2)C1
InChIInChI=1S/C14H25N3O2/c1-10(2)15-14(19)16-12-7-8-17(9-12)13(18)11-5-3-4-6-11/h10-12H,3-9H2,1-2H3,(H2,15,16,19)
InChIKeyHNXVPCTYOGTRQI-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.49
Rot. Bonds3

About 1-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-propan-2-ylurea

1-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-propan-2-ylurea (PubChem CID 53016497) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-propan-2-ylurea
PubChem CID53016497
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name1-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NC1CCN(C(=O)C2CCCC2)C1
InChIInChI=1S/C14H25N3O2/c1-10(2)15-14(19)16-12-7-8-17(9-12)13(18)11-5-3-4-6-11/h10-12H,3-9H2,1-2H3,(H2,15,16,19)
InChIKeyHNXVPCTYOGTRQI-UHFFFAOYSA-N
XLogP1.49
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-propan-2-ylurea?
The IUPAC name of 1-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-propan-2-ylurea (CID 53016497) is 1-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-propan-2-ylurea?
The canonical SMILES for 1-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-propan-2-ylurea is CC(C)NC(=O)NC1CCN(C(=O)C2CCCC2)C1.
What is the InChIKey of 1-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-propan-2-ylurea?
The InChIKey is HNXVPCTYOGTRQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-10(2)15-14(19)16-12-7-8-17(9-12)13(18)11-5-3-4-6-11/h10-12H,3-9H2,1-2H3,(H2,15,16,19).
What are the key properties of 1-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-propan-2-ylurea?
1-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-propan-2-ylurea has a molecular weight of 267.37 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-propan-2-ylurea is sourced from PubChem (CID 53016497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).