1-[(E)-3-methylbut-1-enyl]-3-pyridin-2-ylurea

C11H15N3O — CID 108911064

IUPAC1-[(E)-3-methylbut-1-enyl]-3-pyridin-2-ylurea
SMILESCC(C)/C=C/NC(=O)Nc1ccccn1
InChIInChI=1S/C11H15N3O/c1-9(2)6-8-13-11(15)14-10-5-3-4-7-12-10/h3-9H,1-2H3,(H2,12,13,14,15)/b8-6+
InChIKeyOLGOGAKJDBKYHG-SOFGYWHQSA-N
MW205.26 g/mol
LogP2.37
Rot. Bonds3

About 1-[(E)-3-methylbut-1-enyl]-3-pyridin-2-ylurea

1-[(E)-3-methylbut-1-enyl]-3-pyridin-2-ylurea (PubChem CID 108911064) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-[(E)-3-methylbut-1-enyl]-3-pyridin-2-ylurea.

Molecular Properties

Compound Name1-[(E)-3-methylbut-1-enyl]-3-pyridin-2-ylurea
PubChem CID108911064
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name1-[(E)-3-methylbut-1-enyl]-3-pyridin-2-ylurea
SMILESCC(C)/C=C/NC(=O)Nc1ccccn1
InChIInChI=1S/C11H15N3O/c1-9(2)6-8-13-11(15)14-10-5-3-4-7-12-10/h3-9H,1-2H3,(H2,12,13,14,15)/b8-6+
InChIKeyOLGOGAKJDBKYHG-SOFGYWHQSA-N
XLogP2.37
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(1-pyrazol-1-ylpropan-2-yl)-3-pyridin-2-ylurea
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1-[(3R)-3-[(S)-methylsulfinyl]butyl]-3-pyridin-2-ylurea
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CID 108910928

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-methylbut-1-enyl]-3-pyridin-2-ylurea?
The IUPAC name of 1-[(E)-3-methylbut-1-enyl]-3-pyridin-2-ylurea (CID 108911064) is 1-[(E)-3-methylbut-1-enyl]-3-pyridin-2-ylurea.
What is the SMILES notation for 1-[(E)-3-methylbut-1-enyl]-3-pyridin-2-ylurea?
The canonical SMILES for 1-[(E)-3-methylbut-1-enyl]-3-pyridin-2-ylurea is CC(C)/C=C/NC(=O)Nc1ccccn1.
What is the InChIKey of 1-[(E)-3-methylbut-1-enyl]-3-pyridin-2-ylurea?
The InChIKey is OLGOGAKJDBKYHG-SOFGYWHQSA-N. The full InChI is InChI=1S/C11H15N3O/c1-9(2)6-8-13-11(15)14-10-5-3-4-7-12-10/h3-9H,1-2H3,(H2,12,13,14,15)/b8-6+.
What are the key properties of 1-[(E)-3-methylbut-1-enyl]-3-pyridin-2-ylurea?
1-[(E)-3-methylbut-1-enyl]-3-pyridin-2-ylurea has a molecular weight of 205.26 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-methylbut-1-enyl]-3-pyridin-2-ylurea is sourced from PubChem (CID 108911064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).