1-buta-1,3-dien-2-yl-3-propan-2-ylurea

C8H14N2O — CID 174341570

IUPAC1-buta-1,3-dien-2-yl-3-propan-2-ylurea
SMILESC=CC(=C)NC(=O)NC(C)C
InChIInChI=1S/C8H14N2O/c1-5-7(4)10-8(11)9-6(2)3/h5-6H,1,4H2,2-3H3,(H2,9,10,11)
InChIKeyPGRINHYVVJNDBZ-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.39
Rot. Bonds3

About 1-buta-1,3-dien-2-yl-3-propan-2-ylurea

1-buta-1,3-dien-2-yl-3-propan-2-ylurea (PubChem CID 174341570) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 1-buta-1,3-dien-2-yl-3-propan-2-ylurea.

Molecular Properties

Compound Name1-buta-1,3-dien-2-yl-3-propan-2-ylurea
PubChem CID174341570
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name1-buta-1,3-dien-2-yl-3-propan-2-ylurea
SMILESC=CC(=C)NC(=O)NC(C)C
InChIInChI=1S/C8H14N2O/c1-5-7(4)10-8(11)9-6(2)3/h5-6H,1,4H2,2-3H3,(H2,9,10,11)
InChIKeyPGRINHYVVJNDBZ-UHFFFAOYSA-N
XLogP1.39
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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sodium;hydride;N-propan-2-ylprop-2-enamide
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1-propan-2-yl-3-prop-2-enoxyurea
CID 131228005
(2E)-4-acetamido-2-methyl-N-propan-2-ylpenta-2,4-dienamide
CID 134458144
N-(propan-2-ylcarbamoyl)benzamide
CID 2986554
3-methyl-N-propan-2-ylbut-3-enamide
CID 59532905
(2R)-2-hydroxy-N-propan-2-ylbut-3-enamide
CID 170341446
N-but-3-en-2-yl-2,2-dimethylpropanamide
CID 112698624
N,N'-di(propan-2-yl)decanediamide
CID 58997511
4-methyl-3-oxo-N-propan-2-ylpentanamide
CID 59848448
N-[(1S)-1-hydroxyethyl]prop-2-enamide
CID 59985905

Frequently Asked Questions

What is the IUPAC name of 1-buta-1,3-dien-2-yl-3-propan-2-ylurea?
The IUPAC name of 1-buta-1,3-dien-2-yl-3-propan-2-ylurea (CID 174341570) is 1-buta-1,3-dien-2-yl-3-propan-2-ylurea.
What is the SMILES notation for 1-buta-1,3-dien-2-yl-3-propan-2-ylurea?
The canonical SMILES for 1-buta-1,3-dien-2-yl-3-propan-2-ylurea is C=CC(=C)NC(=O)NC(C)C.
What is the InChIKey of 1-buta-1,3-dien-2-yl-3-propan-2-ylurea?
The InChIKey is PGRINHYVVJNDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-5-7(4)10-8(11)9-6(2)3/h5-6H,1,4H2,2-3H3,(H2,9,10,11).
What are the key properties of 1-buta-1,3-dien-2-yl-3-propan-2-ylurea?
1-buta-1,3-dien-2-yl-3-propan-2-ylurea has a molecular weight of 154.21 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-buta-1,3-dien-2-yl-3-propan-2-ylurea is sourced from PubChem (CID 174341570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).