1-[(3Z)-2-methylidenehexa-3,5-dienyl]-3-pyridin-2-ylurea

C13H15N3O — CID 143608768

IUPAC1-[(3Z)-2-methylidenehexa-3,5-dienyl]-3-pyridin-2-ylurea
SMILESC=C/C=C\C(=C)CNC(=O)Nc1ccccn1
InChIInChI=1S/C13H15N3O/c1-3-4-7-11(2)10-15-13(17)16-12-8-5-6-9-14-12/h3-9H,1-2,10H2,(H2,14,15,16,17)/b7-4-
InChIKeyDSLVWRSRVMPFQI-DAXSKMNVSA-N
MW229.28 g/mol
LogP2.50
Rot. Bonds5

About 1-[(3Z)-2-methylidenehexa-3,5-dienyl]-3-pyridin-2-ylurea

1-[(3Z)-2-methylidenehexa-3,5-dienyl]-3-pyridin-2-ylurea (PubChem CID 143608768) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-[(3Z)-2-methylidenehexa-3,5-dienyl]-3-pyridin-2-ylurea.

Molecular Properties

Compound Name1-[(3Z)-2-methylidenehexa-3,5-dienyl]-3-pyridin-2-ylurea
PubChem CID143608768
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name1-[(3Z)-2-methylidenehexa-3,5-dienyl]-3-pyridin-2-ylurea
SMILESC=C/C=C\C(=C)CNC(=O)Nc1ccccn1
InChIInChI=1S/C13H15N3O/c1-3-4-7-11(2)10-15-13(17)16-12-8-5-6-9-14-12/h3-9H,1-2,10H2,(H2,14,15,16,17)/b7-4-
InChIKeyDSLVWRSRVMPFQI-DAXSKMNVSA-N
XLogP2.50
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(3Z)-2-methylidenehexa-3,5-dienyl]-3-pyridin-2-ylurea?
The IUPAC name of 1-[(3Z)-2-methylidenehexa-3,5-dienyl]-3-pyridin-2-ylurea (CID 143608768) is 1-[(3Z)-2-methylidenehexa-3,5-dienyl]-3-pyridin-2-ylurea.
What is the SMILES notation for 1-[(3Z)-2-methylidenehexa-3,5-dienyl]-3-pyridin-2-ylurea?
The canonical SMILES for 1-[(3Z)-2-methylidenehexa-3,5-dienyl]-3-pyridin-2-ylurea is C=C/C=C\C(=C)CNC(=O)Nc1ccccn1.
What is the InChIKey of 1-[(3Z)-2-methylidenehexa-3,5-dienyl]-3-pyridin-2-ylurea?
The InChIKey is DSLVWRSRVMPFQI-DAXSKMNVSA-N. The full InChI is InChI=1S/C13H15N3O/c1-3-4-7-11(2)10-15-13(17)16-12-8-5-6-9-14-12/h3-9H,1-2,10H2,(H2,14,15,16,17)/b7-4-.
What are the key properties of 1-[(3Z)-2-methylidenehexa-3,5-dienyl]-3-pyridin-2-ylurea?
1-[(3Z)-2-methylidenehexa-3,5-dienyl]-3-pyridin-2-ylurea has a molecular weight of 229.28 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3Z)-2-methylidenehexa-3,5-dienyl]-3-pyridin-2-ylurea is sourced from PubChem (CID 143608768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).