[(2Z)-3-fluoro-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]urea

C9H13FN2O — CID 142108318

IUPAC[(2Z)-3-fluoro-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]urea
SMILESC=C/C(F)=C(\C=C/C)CNC(N)=O
InChIInChI=1S/C9H13FN2O/c1-3-5-7(8(10)4-2)6-12-9(11)13/h3-5H,2,6H2,1H3,(H3,11,12,13)/b5-3-,8-7-
InChIKeyYHJAWEQADWICIC-OVRZELKPSA-N
MW184.21 g/mol
LogP1.64
Rot. Bonds4

About [(2Z)-3-fluoro-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]urea

[(2Z)-3-fluoro-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]urea (PubChem CID 142108318) has the molecular formula C9H13FN2O and a molecular weight of 184.21 g/mol. Its IUPAC name is [(2Z)-3-fluoro-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]urea.

Molecular Properties

Compound Name[(2Z)-3-fluoro-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]urea
PubChem CID142108318
Molecular FormulaC9H13FN2O
Molecular Weight184.21 g/mol
Exact Mass184.10
IUPAC Name[(2Z)-3-fluoro-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]urea
SMILESC=C/C(F)=C(\C=C/C)CNC(N)=O
InChIInChI=1S/C9H13FN2O/c1-3-5-7(8(10)4-2)6-12-9(11)13/h3-5H,2,6H2,1H3,(H3,11,12,13)/b5-3-,8-7-
InChIKeyYHJAWEQADWICIC-OVRZELKPSA-N
XLogP1.64
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.21
LogP ≤ 51.64
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

1-[3-(ethylamino)propyl]-3-[(2Z,4E)-4-(trifluoromethyl)hepta-2,4,6-trienyl]urea
CID 87856558
(6-Fluoro-3-methylidenehepta-4,6-dien-2-yl)urea
CID 123389312
(3-Fluoro-6-methylidenecyclohexa-2,4-dien-1-yl)urea
CID 123540131
N-(2-ethylidene-5-fluorohexa-3,5-dienyl)formamide
CID 123556775
1-tert-butyl-1-[(2Z)-2-ethyl-3-fluoropenta-2,4-dienyl]-3-[(Z)-2-methylidenepent-3-enyl]urea
CID 137533283
(6-Fluorocyclohexa-1,5-dien-1-yl)methylurea
CID 144293774
(6-Fluoro-4-methylcyclohepta-1,3,5-trien-1-yl)methylurea
CID 163975649
[(2Z)-2-ethenyl-3-fluoropenta-2,4-dienyl]urea
CID 164902264
N'-[(3Z)-5-fluoro-2-methylidenehexa-3,5-dienyl]methanediamine
CID 143671711
N-[(2E,3E)-2-ethylidene-4-(trifluoromethyl)hexa-3,5-dienyl]formamide
CID 144312855
Cyclohexa-1,5-dien-1-ylmethylurea
CID 18766888
2-Ethylhepta-2,4-dienylurea
CID 89030350

Frequently Asked Questions

What is the IUPAC name of [(2Z)-3-fluoro-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]urea?
The IUPAC name of [(2Z)-3-fluoro-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]urea (CID 142108318) is [(2Z)-3-fluoro-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]urea.
What is the SMILES notation for [(2Z)-3-fluoro-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]urea?
The canonical SMILES for [(2Z)-3-fluoro-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]urea is C=C/C(F)=C(\C=C/C)CNC(N)=O.
What is the InChIKey of [(2Z)-3-fluoro-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]urea?
The InChIKey is YHJAWEQADWICIC-OVRZELKPSA-N. The full InChI is InChI=1S/C9H13FN2O/c1-3-5-7(8(10)4-2)6-12-9(11)13/h3-5H,2,6H2,1H3,(H3,11,12,13)/b5-3-,8-7-.
What are the key properties of [(2Z)-3-fluoro-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]urea?
[(2Z)-3-fluoro-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]urea has a molecular weight of 184.21 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z)-3-fluoro-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]urea is sourced from PubChem (CID 142108318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).