3-[bis(prop-2-enyl)amino]prop-2-enamide

C9H14N2O — CID 87667924

IUPAC3-[bis(prop-2-enyl)amino]prop-2-enamide
SMILESC=CCN(C=CC(N)=O)CC=C
InChIInChI=1S/C9H14N2O/c1-3-6-11(7-4-2)8-5-9(10)12/h3-5,8H,1-2,6-7H2,(H2,10,12)
InChIKeyIJTGRLQHCDMXJR-UHFFFAOYSA-N
MW166.22 g/mol
LogP0.66
Rot. Bonds6

About 3-[bis(prop-2-enyl)amino]prop-2-enamide

3-[bis(prop-2-enyl)amino]prop-2-enamide (PubChem CID 87667924) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 3-[bis(prop-2-enyl)amino]prop-2-enamide.

Molecular Properties

Compound Name3-[bis(prop-2-enyl)amino]prop-2-enamide
PubChem CID87667924
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name3-[bis(prop-2-enyl)amino]prop-2-enamide
SMILESC=CCN(C=CC(N)=O)CC=C
InChIInChI=1S/C9H14N2O/c1-3-6-11(7-4-2)8-5-9(10)12/h3-5,8H,1-2,6-7H2,(H2,10,12)
InChIKeyIJTGRLQHCDMXJR-UHFFFAOYSA-N
XLogP0.66
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.66
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

2-[methyl(prop-2-enyl)amino]acetamide
CID 55207696
4-amino-4-oxobut-2-enoic acid;buta-1,3-diene
CID 173116521
hepta-2,5-dienediamide;prop-2-enoic acid
CID 159289765
octa-2,7-dienamide
CID 166513974
bis(prop-2-enyl)carbamothioic S-acid;carbamothioic S-acid
CID 87059651
(2E,4E)-5-[bis(prop-2-enyl)amino]penta-2,4-dienal
CID 101477346
N-carbamoyl-N-prop-2-enylformamide
CID 87815239
2-[carbamimidoyl(prop-2-enyl)amino]acetyl chloride
CID 88833013
(E)-4-[benzyl(prop-2-enyl)amino]but-3-en-2-one
CID 135043163
(E)-but-2-enedioic acid;bis(prop-2-enamide)
CID 174486648
N,N-bis(prop-2-enyl)prop-2-en-1-amine;carbonic acid
CID 173029925
2-[(carbamoylamino)-prop-2-enylamino]acetic acid
CID 173292700

Frequently Asked Questions

What is the IUPAC name of 3-[bis(prop-2-enyl)amino]prop-2-enamide?
The IUPAC name of 3-[bis(prop-2-enyl)amino]prop-2-enamide (CID 87667924) is 3-[bis(prop-2-enyl)amino]prop-2-enamide.
What is the SMILES notation for 3-[bis(prop-2-enyl)amino]prop-2-enamide?
The canonical SMILES for 3-[bis(prop-2-enyl)amino]prop-2-enamide is C=CCN(C=CC(N)=O)CC=C.
What is the InChIKey of 3-[bis(prop-2-enyl)amino]prop-2-enamide?
The InChIKey is IJTGRLQHCDMXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-3-6-11(7-4-2)8-5-9(10)12/h3-5,8H,1-2,6-7H2,(H2,10,12).
What are the key properties of 3-[bis(prop-2-enyl)amino]prop-2-enamide?
3-[bis(prop-2-enyl)amino]prop-2-enamide has a molecular weight of 166.22 g/mol, XLogP of 0.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(prop-2-enyl)amino]prop-2-enamide is sourced from PubChem (CID 87667924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).