1-[(1S,2S)-2-methylcyclopentyl]-3-[2-(2-methylprop-2-enoxy)ethyl]urea

C13H24N2O2 — CID 97092212

IUPAC1-[(1S,2S)-2-methylcyclopentyl]-3-[2-(2-methylprop-2-enoxy)ethyl]urea
SMILESC=C(C)COCCNC(=O)N[C@H]1CCC[C@@H]1C
InChIInChI=1S/C13H24N2O2/c1-10(2)9-17-8-7-14-13(16)15-12-6-4-5-11(12)3/h11-12H,1,4-9H2,2-3H3,(H2,14,15,16)/t11-,12-/m0/s1
InChIKeyDEMWGMUTZXEBAK-RYUDHWBXSA-N
MW240.35 g/mol
LogP2.07
Rot. Bonds6

About 1-[(1S,2S)-2-methylcyclopentyl]-3-[2-(2-methylprop-2-enoxy)ethyl]urea

1-[(1S,2S)-2-methylcyclopentyl]-3-[2-(2-methylprop-2-enoxy)ethyl]urea (PubChem CID 97092212) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-[(1S,2S)-2-methylcyclopentyl]-3-[2-(2-methylprop-2-enoxy)ethyl]urea.

Molecular Properties

Compound Name1-[(1S,2S)-2-methylcyclopentyl]-3-[2-(2-methylprop-2-enoxy)ethyl]urea
PubChem CID97092212
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name1-[(1S,2S)-2-methylcyclopentyl]-3-[2-(2-methylprop-2-enoxy)ethyl]urea
SMILESC=C(C)COCCNC(=O)N[C@H]1CCC[C@@H]1C
InChIInChI=1S/C13H24N2O2/c1-10(2)9-17-8-7-14-13(16)15-12-6-4-5-11(12)3/h11-12H,1,4-9H2,2-3H3,(H2,14,15,16)/t11-,12-/m0/s1
InChIKeyDEMWGMUTZXEBAK-RYUDHWBXSA-N
XLogP2.07
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(2-methylcyclopentyl)-3-[2-(2-methylprop-2-enoxy)ethyl]urea
CID 71917531
2-[2-(2-methylprop-2-enoxy)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 114469505
1-(2-methoxyethyl)-3-(2-methylcyclohexyl)urea
CID 47133656
1-(3-hydroxypropyl)-3-(2-methylcyclopentyl)urea
CID 111104441
1-(2-methylcycloheptyl)-3-propylurea
CID 115660989
1-[2-(2-methylprop-2-enoxy)ethyl]-3-(oxolan-3-yl)urea
CID 115759183
1-(cyclopentylmethyl)-3-(2-methylcyclohexyl)urea
CID 108902589
1-ethyl-3-(2-methylcyclohexyl)urea
CID 112682943
N-[2-(2-hydroxyethoxy)ethyl]-N'-(2-methylcyclohexyl)oxamide
CID 108524266
trans-(1R,2R)-2-[2-(2-methylprop-2-enoxy)ethylamino]cyclopentan-1-ol
CID 102734200
2-cyclohexyl-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide
CID 113258414
1-[2-(2-methylprop-2-enoxy)ethyl]-3-[(4-propan-2-ylcyclohexyl)methyl]urea
CID 146561839

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2S)-2-methylcyclopentyl]-3-[2-(2-methylprop-2-enoxy)ethyl]urea?
The IUPAC name of 1-[(1S,2S)-2-methylcyclopentyl]-3-[2-(2-methylprop-2-enoxy)ethyl]urea (CID 97092212) is 1-[(1S,2S)-2-methylcyclopentyl]-3-[2-(2-methylprop-2-enoxy)ethyl]urea.
What is the SMILES notation for 1-[(1S,2S)-2-methylcyclopentyl]-3-[2-(2-methylprop-2-enoxy)ethyl]urea?
The canonical SMILES for 1-[(1S,2S)-2-methylcyclopentyl]-3-[2-(2-methylprop-2-enoxy)ethyl]urea is C=C(C)COCCNC(=O)N[C@H]1CCC[C@@H]1C.
What is the InChIKey of 1-[(1S,2S)-2-methylcyclopentyl]-3-[2-(2-methylprop-2-enoxy)ethyl]urea?
The InChIKey is DEMWGMUTZXEBAK-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-10(2)9-17-8-7-14-13(16)15-12-6-4-5-11(12)3/h11-12H,1,4-9H2,2-3H3,(H2,14,15,16)/t11-,12-/m0/s1.
What are the key properties of 1-[(1S,2S)-2-methylcyclopentyl]-3-[2-(2-methylprop-2-enoxy)ethyl]urea?
1-[(1S,2S)-2-methylcyclopentyl]-3-[2-(2-methylprop-2-enoxy)ethyl]urea has a molecular weight of 240.35 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2S)-2-methylcyclopentyl]-3-[2-(2-methylprop-2-enoxy)ethyl]urea is sourced from PubChem (CID 97092212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).