1-(cyclopentylmethyl)-3-propylurea

C10H20N2O — CID 84514497

IUPAC1-(cyclopentylmethyl)-3-propylurea
SMILESCCCNC(=O)NCC1CCCC1
InChIInChI=1S/C10H20N2O/c1-2-7-11-10(13)12-8-9-5-3-4-6-9/h9H,2-8H2,1H3,(H2,11,12,13)
InChIKeyMUOSZPBEZCCBPT-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.89
Rot. Bonds4

About 1-(cyclopentylmethyl)-3-propylurea

1-(cyclopentylmethyl)-3-propylurea (PubChem CID 84514497) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-(cyclopentylmethyl)-3-propylurea.

Molecular Properties

Compound Name1-(cyclopentylmethyl)-3-propylurea
PubChem CID84514497
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name1-(cyclopentylmethyl)-3-propylurea
SMILESCCCNC(=O)NCC1CCCC1
InChIInChI=1S/C10H20N2O/c1-2-7-11-10(13)12-8-9-5-3-4-6-9/h9H,2-8H2,1H3,(H2,11,12,13)
InChIKeyMUOSZPBEZCCBPT-UHFFFAOYSA-N
XLogP1.89
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylmethyl)-3-propylurea?
The IUPAC name of 1-(cyclopentylmethyl)-3-propylurea (CID 84514497) is 1-(cyclopentylmethyl)-3-propylurea.
What is the SMILES notation for 1-(cyclopentylmethyl)-3-propylurea?
The canonical SMILES for 1-(cyclopentylmethyl)-3-propylurea is CCCNC(=O)NCC1CCCC1.
What is the InChIKey of 1-(cyclopentylmethyl)-3-propylurea?
The InChIKey is MUOSZPBEZCCBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-2-7-11-10(13)12-8-9-5-3-4-6-9/h9H,2-8H2,1H3,(H2,11,12,13).
What are the key properties of 1-(cyclopentylmethyl)-3-propylurea?
1-(cyclopentylmethyl)-3-propylurea has a molecular weight of 184.28 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylmethyl)-3-propylurea is sourced from PubChem (CID 84514497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).