N-[(3Z)-3-(1-bromoethenyl)hexa-3,5-dienyl]acetamide

C10H14BrNO — CID 145058576

IUPACN-[(3Z)-3-(1-bromoethenyl)hexa-3,5-dienyl]acetamide
SMILESC=C/C=C(/CCNC(C)=O)C(=C)Br
InChIInChI=1S/C10H14BrNO/c1-4-5-10(8(2)11)6-7-12-9(3)13/h4-5H,1-2,6-7H2,3H3,(H,12,13)/b10-5-
InChIKeyOWDDROWIKYOQFB-YHYXMXQVSA-N
MW244.13 g/mol
LogP2.53
Rot. Bonds5

About N-[(3Z)-3-(1-bromoethenyl)hexa-3,5-dienyl]acetamide

N-[(3Z)-3-(1-bromoethenyl)hexa-3,5-dienyl]acetamide (PubChem CID 145058576) has the molecular formula C10H14BrNO and a molecular weight of 244.13 g/mol. Its IUPAC name is N-[(3Z)-3-(1-bromoethenyl)hexa-3,5-dienyl]acetamide.

Molecular Properties

Compound NameN-[(3Z)-3-(1-bromoethenyl)hexa-3,5-dienyl]acetamide
PubChem CID145058576
Molecular FormulaC10H14BrNO
Molecular Weight244.13 g/mol
Exact Mass243.03
IUPAC NameN-[(3Z)-3-(1-bromoethenyl)hexa-3,5-dienyl]acetamide
SMILESC=C/C=C(/CCNC(C)=O)C(=C)Br
InChIInChI=1S/C10H14BrNO/c1-4-5-10(8(2)11)6-7-12-9(3)13/h4-5H,1-2,6-7H2,3H3,(H,12,13)/b10-5-
InChIKeyOWDDROWIKYOQFB-YHYXMXQVSA-N
XLogP2.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.13
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[6-[(2E)-2-ethenylpenta-2,4-dienoxy]hept-6-enyl]acetamide
CID 144874537
N-[(3Z,4Z)-3-ethylidenehepta-4,6-dienyl]acetamide
CID 122535321
N-[(3Z)-3-ethylhexa-1,3,5-trien-2-yl]acetamide
CID 177208233
S-[2-(prop-2-enoxycarbonylamino)ethyl] 3-acetamidopropanethioate
CID 134297811
N-(3-acetamidopropyl)acetamide
CID 5147555
N-[(3Z,4E,6E,8E)-8-ethenyl-3-ethylidene-5-oxo-4-prop-2-enylidenetrideca-6,8,12-trienyl]acetamide
CID 134238679
N-[2-(prop-1-en-2-ylamino)ethyl]acetamide
CID 21030566
3-acetamidopropanoyloxidanium
CID 154009858
prop-2-enyl N-(4-acetamidobutyl)carbamate
CID 54178304
N-hexa-3,5-dienylacetamide
CID 59663062
methyl N-[(3Z)-3-ethenylhexa-3,5-dienyl]carbamate
CID 154661224
N-[(2Z)-penta-2,4-dien-2-yl]pentanamide
CID 134525821

Frequently Asked Questions

What is the IUPAC name of N-[(3Z)-3-(1-bromoethenyl)hexa-3,5-dienyl]acetamide?
The IUPAC name of N-[(3Z)-3-(1-bromoethenyl)hexa-3,5-dienyl]acetamide (CID 145058576) is N-[(3Z)-3-(1-bromoethenyl)hexa-3,5-dienyl]acetamide.
What is the SMILES notation for N-[(3Z)-3-(1-bromoethenyl)hexa-3,5-dienyl]acetamide?
The canonical SMILES for N-[(3Z)-3-(1-bromoethenyl)hexa-3,5-dienyl]acetamide is C=C/C=C(/CCNC(C)=O)C(=C)Br.
What is the InChIKey of N-[(3Z)-3-(1-bromoethenyl)hexa-3,5-dienyl]acetamide?
The InChIKey is OWDDROWIKYOQFB-YHYXMXQVSA-N. The full InChI is InChI=1S/C10H14BrNO/c1-4-5-10(8(2)11)6-7-12-9(3)13/h4-5H,1-2,6-7H2,3H3,(H,12,13)/b10-5-.
What are the key properties of N-[(3Z)-3-(1-bromoethenyl)hexa-3,5-dienyl]acetamide?
N-[(3Z)-3-(1-bromoethenyl)hexa-3,5-dienyl]acetamide has a molecular weight of 244.13 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-3-(1-bromoethenyl)hexa-3,5-dienyl]acetamide is sourced from PubChem (CID 145058576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).