1-[(2E,3Z)-5-chloro-2-ethylidenehexa-3,5-dienyl]-3-[(1E,3E)-4-methylhexa-1,3-dienyl]urea

C16H23ClN2O — CID 156824725

IUPAC1-[(2E,3Z)-5-chloro-2-ethylidenehexa-3,5-dienyl]-3-[(1E,3E)-4-methylhexa-1,3-dienyl]urea
SMILESC=C(Cl)/C=C\C(=C/C)CNC(=O)N/C=C/C=C(\C)CC
InChIInChI=1S/C16H23ClN2O/c1-5-13(3)8-7-11-18-16(20)19-12-15(6-2)10-9-14(4)17/h6-11H,4-5,12H2,1-3H3,(H2,18,19,20)/b10-9-,11-7+,13-8+,15-6+
InChIKeySYEWKHAIRPTRKC-VAWXEOHKSA-N
MW294.83 g/mol
LogP4.41
Rot. Bonds7

About 1-[(2E,3Z)-5-chloro-2-ethylidenehexa-3,5-dienyl]-3-[(1E,3E)-4-methylhexa-1,3-dienyl]urea

1-[(2E,3Z)-5-chloro-2-ethylidenehexa-3,5-dienyl]-3-[(1E,3E)-4-methylhexa-1,3-dienyl]urea (PubChem CID 156824725) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is 1-[(2E,3Z)-5-chloro-2-ethylidenehexa-3,5-dienyl]-3-[(1E,3E)-4-methylhexa-1,3-dienyl]urea.

Molecular Properties

Compound Name1-[(2E,3Z)-5-chloro-2-ethylidenehexa-3,5-dienyl]-3-[(1E,3E)-4-methylhexa-1,3-dienyl]urea
PubChem CID156824725
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC Name1-[(2E,3Z)-5-chloro-2-ethylidenehexa-3,5-dienyl]-3-[(1E,3E)-4-methylhexa-1,3-dienyl]urea
SMILESC=C(Cl)/C=C\C(=C/C)CNC(=O)N/C=C/C=C(\C)CC
InChIInChI=1S/C16H23ClN2O/c1-5-13(3)8-7-11-18-16(20)19-12-15(6-2)10-9-14(4)17/h6-11H,4-5,12H2,1-3H3,(H2,18,19,20)/b10-9-,11-7+,13-8+,15-6+
InChIKeySYEWKHAIRPTRKC-VAWXEOHKSA-N
XLogP4.41
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 54.41
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

(5Z,6Z)-8-chloro-5-ethylidenenona-6,8-dien-2-one
CID 156886752
(4Z,5Z)-7-chloro-4-ethylideneocta-5,7-dienamide
CID 156886780
7-methylnona-4,6-dien-3-one
CID 90846612
6-ethyl-2-methyl-4-methylidenenona-1,5,7-triene
CID 123708216
2-chloropenta-1,3-diene;pent-3-en-2-one
CID 163430879
N-[(2E,4Z)-2-[(Z)-prop-1-enyl]hexa-2,4-dienyl]prop-2-enamide
CID 145160973
(2E,4E)-N-but-1-en-2-yl-2,5-dimethylhepta-2,4-dien-1-amine
CID 134409216
N-[(E)-2-[(Z)-2-(methylideneamino)ethenyl]but-2-enyl]acetamide
CID 144540768
(3Z)-2-chloro-5-methylhexa-1,3,5-triene;propane
CID 142924242
N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]butanamide
CID 167457562
(2E,4Z)-6-chloro-N-methylhepta-2,4,6-trien-2-amine
CID 145165350
(1Z,3E)-N,4-dimethyl-N-prop-1-en-2-ylhexa-1,3-dien-1-amine
CID 143332145

Frequently Asked Questions

What is the IUPAC name of 1-[(2E,3Z)-5-chloro-2-ethylidenehexa-3,5-dienyl]-3-[(1E,3E)-4-methylhexa-1,3-dienyl]urea?
The IUPAC name of 1-[(2E,3Z)-5-chloro-2-ethylidenehexa-3,5-dienyl]-3-[(1E,3E)-4-methylhexa-1,3-dienyl]urea (CID 156824725) is 1-[(2E,3Z)-5-chloro-2-ethylidenehexa-3,5-dienyl]-3-[(1E,3E)-4-methylhexa-1,3-dienyl]urea.
What is the SMILES notation for 1-[(2E,3Z)-5-chloro-2-ethylidenehexa-3,5-dienyl]-3-[(1E,3E)-4-methylhexa-1,3-dienyl]urea?
The canonical SMILES for 1-[(2E,3Z)-5-chloro-2-ethylidenehexa-3,5-dienyl]-3-[(1E,3E)-4-methylhexa-1,3-dienyl]urea is C=C(Cl)/C=C\C(=C/C)CNC(=O)N/C=C/C=C(\C)CC.
What is the InChIKey of 1-[(2E,3Z)-5-chloro-2-ethylidenehexa-3,5-dienyl]-3-[(1E,3E)-4-methylhexa-1,3-dienyl]urea?
The InChIKey is SYEWKHAIRPTRKC-VAWXEOHKSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-5-13(3)8-7-11-18-16(20)19-12-15(6-2)10-9-14(4)17/h6-11H,4-5,12H2,1-3H3,(H2,18,19,20)/b10-9-,11-7+,13-8+,15-6+.
What are the key properties of 1-[(2E,3Z)-5-chloro-2-ethylidenehexa-3,5-dienyl]-3-[(1E,3E)-4-methylhexa-1,3-dienyl]urea?
1-[(2E,3Z)-5-chloro-2-ethylidenehexa-3,5-dienyl]-3-[(1E,3E)-4-methylhexa-1,3-dienyl]urea has a molecular weight of 294.83 g/mol, XLogP of 4.41, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E,3Z)-5-chloro-2-ethylidenehexa-3,5-dienyl]-3-[(1E,3E)-4-methylhexa-1,3-dienyl]urea is sourced from PubChem (CID 156824725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).