2-[bis(prop-2-enyl)amino]-N-prop-2-enylprop-2-enamide

C12H18N2O — CID 87504024

IUPAC2-[bis(prop-2-enyl)amino]-N-prop-2-enylprop-2-enamide
SMILESC=CCNC(=O)C(=C)N(CC=C)CC=C
InChIInChI=1S/C12H18N2O/c1-5-8-13-12(15)11(4)14(9-6-2)10-7-3/h5-7H,1-4,8-10H2,(H,13,15)
InChIKeyOQGGWPHJPUSHPT-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.48
Rot. Bonds8

About 2-[bis(prop-2-enyl)amino]-N-prop-2-enylprop-2-enamide

2-[bis(prop-2-enyl)amino]-N-prop-2-enylprop-2-enamide (PubChem CID 87504024) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-[bis(prop-2-enyl)amino]-N-prop-2-enylprop-2-enamide.

Molecular Properties

Compound Name2-[bis(prop-2-enyl)amino]-N-prop-2-enylprop-2-enamide
PubChem CID87504024
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2-[bis(prop-2-enyl)amino]-N-prop-2-enylprop-2-enamide
SMILESC=CCNC(=O)C(=C)N(CC=C)CC=C
InChIInChI=1S/C12H18N2O/c1-5-8-13-12(15)11(4)14(9-6-2)10-7-3/h5-7H,1-4,8-10H2,(H,13,15)
InChIKeyOQGGWPHJPUSHPT-UHFFFAOYSA-N
XLogP1.48
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-ethenyl-1,3-bis(prop-2-enyl)urea
CID 174961911
2-methyl-N-prop-2-enylprop-2-enamide;hydrochloride
CID 173399852
(E)-2,7-dimethylidene-N,N'-bis(prop-2-enyl)oct-4-enediamide
CID 175865307
3-oxo-3-(prop-2-enylamino)prop-1-ene-2-sulfonic acid
CID 87500396
(Z)-2-hydroxy-N-prop-2-enylbut-2-enamide
CID 87714172
ethyl 2-[bis(prop-2-enyl)amino]prop-2-enoate
CID 87228347
N-(prop-2-enylcarbamoyl)formamide
CID 87901285
2,2,2-trichloro-N,N-bis(prop-2-enyl)acetamide
CID 736559
3-prop-1-en-2-yl-1,1-bis(prop-2-enyl)urea
CID 108910247
N'-butyl-N-prop-2-enyl-N'-propyloxamide
CID 108521545
N-[3-[bis(prop-2-enyl)amino]prop-2-enyl]-2-methylprop-2-enamide
CID 173174542
N-(3-formamidopropyl)-N'-prop-2-enyloxamide
CID 108526430

Frequently Asked Questions

What is the IUPAC name of 2-[bis(prop-2-enyl)amino]-N-prop-2-enylprop-2-enamide?
The IUPAC name of 2-[bis(prop-2-enyl)amino]-N-prop-2-enylprop-2-enamide (CID 87504024) is 2-[bis(prop-2-enyl)amino]-N-prop-2-enylprop-2-enamide.
What is the SMILES notation for 2-[bis(prop-2-enyl)amino]-N-prop-2-enylprop-2-enamide?
The canonical SMILES for 2-[bis(prop-2-enyl)amino]-N-prop-2-enylprop-2-enamide is C=CCNC(=O)C(=C)N(CC=C)CC=C.
What is the InChIKey of 2-[bis(prop-2-enyl)amino]-N-prop-2-enylprop-2-enamide?
The InChIKey is OQGGWPHJPUSHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-5-8-13-12(15)11(4)14(9-6-2)10-7-3/h5-7H,1-4,8-10H2,(H,13,15).
What are the key properties of 2-[bis(prop-2-enyl)amino]-N-prop-2-enylprop-2-enamide?
2-[bis(prop-2-enyl)amino]-N-prop-2-enylprop-2-enamide has a molecular weight of 206.29 g/mol, XLogP of 1.48, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(prop-2-enyl)amino]-N-prop-2-enylprop-2-enamide is sourced from PubChem (CID 87504024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).