3-(1-cyclopenta-2,4-dien-1-ylethyl)-1,1-di(propan-2-yl)urea

C14H24N2O — CID 101340438

IUPAC3-(1-cyclopenta-2,4-dien-1-ylethyl)-1,1-di(propan-2-yl)urea
SMILESCC(NC(=O)N(C(C)C)C(C)C)C1C=CC=C1
InChIInChI=1S/C14H24N2O/c1-10(2)16(11(3)4)14(17)15-12(5)13-8-6-7-9-13/h6-13H,1-5H3,(H,15,17)
InChIKeyDEGAGLWIYFUTJF-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.95
Rot. Bonds4

About 3-(1-cyclopenta-2,4-dien-1-ylethyl)-1,1-di(propan-2-yl)urea

3-(1-cyclopenta-2,4-dien-1-ylethyl)-1,1-di(propan-2-yl)urea (PubChem CID 101340438) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 3-(1-cyclopenta-2,4-dien-1-ylethyl)-1,1-di(propan-2-yl)urea.

Molecular Properties

Compound Name3-(1-cyclopenta-2,4-dien-1-ylethyl)-1,1-di(propan-2-yl)urea
PubChem CID101340438
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name3-(1-cyclopenta-2,4-dien-1-ylethyl)-1,1-di(propan-2-yl)urea
SMILESCC(NC(=O)N(C(C)C)C(C)C)C1C=CC=C1
InChIInChI=1S/C14H24N2O/c1-10(2)16(11(3)4)14(17)15-12(5)13-8-6-7-9-13/h6-13H,1-5H3,(H,15,17)
InChIKeyDEGAGLWIYFUTJF-UHFFFAOYSA-N
XLogP2.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopenta-2,4-dien-1-ylethyl)-1,1-di(propan-2-yl)urea?
The IUPAC name of 3-(1-cyclopenta-2,4-dien-1-ylethyl)-1,1-di(propan-2-yl)urea (CID 101340438) is 3-(1-cyclopenta-2,4-dien-1-ylethyl)-1,1-di(propan-2-yl)urea.
What is the SMILES notation for 3-(1-cyclopenta-2,4-dien-1-ylethyl)-1,1-di(propan-2-yl)urea?
The canonical SMILES for 3-(1-cyclopenta-2,4-dien-1-ylethyl)-1,1-di(propan-2-yl)urea is CC(NC(=O)N(C(C)C)C(C)C)C1C=CC=C1.
What is the InChIKey of 3-(1-cyclopenta-2,4-dien-1-ylethyl)-1,1-di(propan-2-yl)urea?
The InChIKey is DEGAGLWIYFUTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-10(2)16(11(3)4)14(17)15-12(5)13-8-6-7-9-13/h6-13H,1-5H3,(H,15,17).
What are the key properties of 3-(1-cyclopenta-2,4-dien-1-ylethyl)-1,1-di(propan-2-yl)urea?
3-(1-cyclopenta-2,4-dien-1-ylethyl)-1,1-di(propan-2-yl)urea has a molecular weight of 236.36 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclopenta-2,4-dien-1-ylethyl)-1,1-di(propan-2-yl)urea is sourced from PubChem (CID 101340438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).