1-cyclopentyl-3-(1-methylcyclopropyl)urea

C10H18N2O — CID 115635212

IUPAC1-cyclopentyl-3-(1-methylcyclopropyl)urea
SMILESCC1(NC(=O)NC2CCCC2)CC1
InChIInChI=1S/C10H18N2O/c1-10(6-7-10)12-9(13)11-8-4-2-3-5-8/h8H,2-7H2,1H3,(H2,11,12,13)
InChIKeyNLAGFXJVPWYKDA-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.78
Rot. Bonds2

About 1-cyclopentyl-3-(1-methylcyclopropyl)urea

1-cyclopentyl-3-(1-methylcyclopropyl)urea (PubChem CID 115635212) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 1-cyclopentyl-3-(1-methylcyclopropyl)urea.

Molecular Properties

Compound Name1-cyclopentyl-3-(1-methylcyclopropyl)urea
PubChem CID115635212
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name1-cyclopentyl-3-(1-methylcyclopropyl)urea
SMILESCC1(NC(=O)NC2CCCC2)CC1
InChIInChI=1S/C10H18N2O/c1-10(6-7-10)12-9(13)11-8-4-2-3-5-8/h8H,2-7H2,1H3,(H2,11,12,13)
InChIKeyNLAGFXJVPWYKDA-UHFFFAOYSA-N
XLogP1.78
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-Tert-butyl-3-cyclohexylurea
CID 306672
N-butyl-N'-cyclopentylurea
CID 4150224
N,N'-Dicyclopentylurea
CID 13812604
N-Hexyl-N'-propan-2-ylurea
CID 23264656
N-Cyclopentyl-N'-methylurea
CID 13428331
1-Cyclopentyl-3-[2-[cyclopropyl(ethyl)amino]ethyl]urea
CID 53553549
1-Cyclopropyl-3-(3-methylpentan-3-yl)urea
CID 71875879
1-(cyclopentylmethyl)-3-[(1S)-1-cyclopropylethyl]urea
CID 96471073
1-Cyclopentyl-3-[1-(trifluoromethyl)cyclopropyl]urea
CID 106211165
1-cyclopentyl-3-[(2S)-1-fluoropropan-2-yl]urea
CID 127009415
1-Ethyl-3-(3-fluorocyclopentyl)-1-methylurea
CID 127009418
1-ethyl-3-[(1S,2R)-2-fluorocyclopentyl]-1-methylurea
CID 130688509

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(1-methylcyclopropyl)urea?
The IUPAC name of 1-cyclopentyl-3-(1-methylcyclopropyl)urea (CID 115635212) is 1-cyclopentyl-3-(1-methylcyclopropyl)urea.
What is the SMILES notation for 1-cyclopentyl-3-(1-methylcyclopropyl)urea?
The canonical SMILES for 1-cyclopentyl-3-(1-methylcyclopropyl)urea is CC1(NC(=O)NC2CCCC2)CC1.
What is the InChIKey of 1-cyclopentyl-3-(1-methylcyclopropyl)urea?
The InChIKey is NLAGFXJVPWYKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-10(6-7-10)12-9(13)11-8-4-2-3-5-8/h8H,2-7H2,1H3,(H2,11,12,13).
What are the key properties of 1-cyclopentyl-3-(1-methylcyclopropyl)urea?
1-cyclopentyl-3-(1-methylcyclopropyl)urea has a molecular weight of 182.27 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(1-methylcyclopropyl)urea is sourced from PubChem (CID 115635212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).