1-(cyclopentylmethyl)-3-methylurea

C8H16N2O — CID 57288164

IUPAC1-(cyclopentylmethyl)-3-methylurea
SMILESCNC(=O)NCC1CCCC1
InChIInChI=1S/C8H16N2O/c1-9-8(11)10-6-7-4-2-3-5-7/h7H,2-6H2,1H3,(H2,9,10,11)
InChIKeyUGLSWUKAVXCEJJ-UHFFFAOYSA-N
MW156.23 g/mol
LogP1.11
Rot. Bonds2

About 1-(cyclopentylmethyl)-3-methylurea

1-(cyclopentylmethyl)-3-methylurea (PubChem CID 57288164) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 1-(cyclopentylmethyl)-3-methylurea.

Molecular Properties

Compound Name1-(cyclopentylmethyl)-3-methylurea
PubChem CID57288164
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name1-(cyclopentylmethyl)-3-methylurea
SMILESCNC(=O)NCC1CCCC1
InChIInChI=1S/C8H16N2O/c1-9-8(11)10-6-7-4-2-3-5-7/h7H,2-6H2,1H3,(H2,9,10,11)
InChIKeyUGLSWUKAVXCEJJ-UHFFFAOYSA-N
XLogP1.11
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylmethyl)-3-methylurea?
The IUPAC name of 1-(cyclopentylmethyl)-3-methylurea (CID 57288164) is 1-(cyclopentylmethyl)-3-methylurea.
What is the SMILES notation for 1-(cyclopentylmethyl)-3-methylurea?
The canonical SMILES for 1-(cyclopentylmethyl)-3-methylurea is CNC(=O)NCC1CCCC1.
What is the InChIKey of 1-(cyclopentylmethyl)-3-methylurea?
The InChIKey is UGLSWUKAVXCEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-9-8(11)10-6-7-4-2-3-5-7/h7H,2-6H2,1H3,(H2,9,10,11).
What are the key properties of 1-(cyclopentylmethyl)-3-methylurea?
1-(cyclopentylmethyl)-3-methylurea has a molecular weight of 156.23 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylmethyl)-3-methylurea is sourced from PubChem (CID 57288164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).