1-cyclohexa-1,5-dien-1-yl-3-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]urea

C14H18N2O — CID 142994053

IUPAC1-cyclohexa-1,5-dien-1-yl-3-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]urea
SMILESC=C(C)/C=C\C(=C)NC(=O)NC1=CCCC=C1
InChIInChI=1S/C14H18N2O/c1-11(2)9-10-12(3)15-14(17)16-13-7-5-4-6-8-13/h5,7-10H,1,3-4,6H2,2H3,(H2,15,16,17)/b10-9-
InChIKeyPRKHANGEUDFGFX-KTKRTIGZSA-N
MW230.31 g/mol
LogP3.17
Rot. Bonds4

About 1-cyclohexa-1,5-dien-1-yl-3-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]urea

1-cyclohexa-1,5-dien-1-yl-3-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]urea (PubChem CID 142994053) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-cyclohexa-1,5-dien-1-yl-3-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]urea.

Molecular Properties

Compound Name1-cyclohexa-1,5-dien-1-yl-3-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]urea
PubChem CID142994053
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name1-cyclohexa-1,5-dien-1-yl-3-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]urea
SMILESC=C(C)/C=C\C(=C)NC(=O)NC1=CCCC=C1
InChIInChI=1S/C14H18N2O/c1-11(2)9-10-12(3)15-14(17)16-13-7-5-4-6-8-13/h5,7-10H,1,3-4,6H2,2H3,(H2,15,16,17)/b10-9-
InChIKeyPRKHANGEUDFGFX-KTKRTIGZSA-N
XLogP3.17
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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-cyclohexa-1,5-dien-1-yl-3-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]urea?
The IUPAC name of 1-cyclohexa-1,5-dien-1-yl-3-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]urea (CID 142994053) is 1-cyclohexa-1,5-dien-1-yl-3-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]urea.
What is the SMILES notation for 1-cyclohexa-1,5-dien-1-yl-3-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]urea?
The canonical SMILES for 1-cyclohexa-1,5-dien-1-yl-3-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]urea is C=C(C)/C=C\C(=C)NC(=O)NC1=CCCC=C1.
What is the InChIKey of 1-cyclohexa-1,5-dien-1-yl-3-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]urea?
The InChIKey is PRKHANGEUDFGFX-KTKRTIGZSA-N. The full InChI is InChI=1S/C14H18N2O/c1-11(2)9-10-12(3)15-14(17)16-13-7-5-4-6-8-13/h5,7-10H,1,3-4,6H2,2H3,(H2,15,16,17)/b10-9-.
What are the key properties of 1-cyclohexa-1,5-dien-1-yl-3-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]urea?
1-cyclohexa-1,5-dien-1-yl-3-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]urea has a molecular weight of 230.31 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-1,5-dien-1-yl-3-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]urea is sourced from PubChem (CID 142994053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).