5,5-dichloro-3-oxo-N,N-bis(prop-2-enyl)pent-4-enamide

C11H13Cl2NO2 — CID 86060579

IUPAC5,5-dichloro-3-oxo-N,N-bis(prop-2-enyl)pent-4-enamide
SMILESC=CCN(CC=C)C(=O)CC(=O)C=C(Cl)Cl
InChIInChI=1S/C11H13Cl2NO2/c1-3-5-14(6-4-2)11(16)8-9(15)7-10(12)13/h3-4,7H,1-2,5-6,8H2
InChIKeyMOXZQWARINDLKQ-UHFFFAOYSA-N
MW262.14 g/mol
LogP2.47
Rot. Bonds7

About 5,5-dichloro-3-oxo-N,N-bis(prop-2-enyl)pent-4-enamide

5,5-dichloro-3-oxo-N,N-bis(prop-2-enyl)pent-4-enamide (PubChem CID 86060579) has the molecular formula C11H13Cl2NO2 and a molecular weight of 262.14 g/mol. Its IUPAC name is 5,5-dichloro-3-oxo-N,N-bis(prop-2-enyl)pent-4-enamide.

Molecular Properties

Compound Name5,5-dichloro-3-oxo-N,N-bis(prop-2-enyl)pent-4-enamide
PubChem CID86060579
Molecular FormulaC11H13Cl2NO2
Molecular Weight262.14 g/mol
Exact Mass261.03
IUPAC Name5,5-dichloro-3-oxo-N,N-bis(prop-2-enyl)pent-4-enamide
SMILESC=CCN(CC=C)C(=O)CC(=O)C=C(Cl)Cl
InChIInChI=1S/C11H13Cl2NO2/c1-3-5-14(6-4-2)11(16)8-9(15)7-10(12)13/h3-4,7H,1-2,5-6,8H2
InChIKeyMOXZQWARINDLKQ-UHFFFAOYSA-N
XLogP2.47
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.14
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-N,N-bis(prop-2-enyl)acetamide
CID 13241436
2-fluoro-N,N-bis(prop-2-enyl)acetamide
CID 176847586
2,2,2-trichloro-N,N-bis(prop-2-enyl)acetamide
CID 736559
3,3,3-trifluoro-N,N-bis(prop-2-enyl)propanamide
CID 176847603
[2-[bis(prop-2-enyl)amino]-2-oxoethyl]phosphonic acid
CID 88512843
CID 140859392
CID 140859392
4-oxo-N,N-bis(prop-2-enyl)butanamide
CID 173364816
N,N-bis(prop-2-enyl)carbamoyl fluoride
CID 21354913
6-[bis(prop-2-enyl)amino]-6-oxohexanoic acid
CID 43529248
(Z)-2-[bis(prop-2-enyl)amino]but-2-enedioic acid
CID 87691672
methyl 2-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]-(2-methoxy-2-oxoethyl)amino]acetate
CID 62954660
[5-[bis(prop-2-enyl)amino]-5-oxopentanoyl]oxidanium
CID 21354902

Frequently Asked Questions

What is the IUPAC name of 5,5-dichloro-3-oxo-N,N-bis(prop-2-enyl)pent-4-enamide?
The IUPAC name of 5,5-dichloro-3-oxo-N,N-bis(prop-2-enyl)pent-4-enamide (CID 86060579) is 5,5-dichloro-3-oxo-N,N-bis(prop-2-enyl)pent-4-enamide.
What is the SMILES notation for 5,5-dichloro-3-oxo-N,N-bis(prop-2-enyl)pent-4-enamide?
The canonical SMILES for 5,5-dichloro-3-oxo-N,N-bis(prop-2-enyl)pent-4-enamide is C=CCN(CC=C)C(=O)CC(=O)C=C(Cl)Cl.
What is the InChIKey of 5,5-dichloro-3-oxo-N,N-bis(prop-2-enyl)pent-4-enamide?
The InChIKey is MOXZQWARINDLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO2/c1-3-5-14(6-4-2)11(16)8-9(15)7-10(12)13/h3-4,7H,1-2,5-6,8H2.
What are the key properties of 5,5-dichloro-3-oxo-N,N-bis(prop-2-enyl)pent-4-enamide?
5,5-dichloro-3-oxo-N,N-bis(prop-2-enyl)pent-4-enamide has a molecular weight of 262.14 g/mol, XLogP of 2.47, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dichloro-3-oxo-N,N-bis(prop-2-enyl)pent-4-enamide is sourced from PubChem (CID 86060579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).