N,N-bis(methylamino)prop-2-enamide

C5H11N3O — CID 87113321

IUPACN,N-bis(methylamino)prop-2-enamide
SMILESC=CC(=O)N(NC)NC
InChIInChI=1S/C5H11N3O/c1-4-5(9)8(6-2)7-3/h4,6-7H,1H2,2-3H3
InChIKeyQFBCWTKGNSKATM-UHFFFAOYSA-N
MW129.16 g/mol
LogP-0.73
Rot. Bonds3

About N,N-bis(methylamino)prop-2-enamide

N,N-bis(methylamino)prop-2-enamide (PubChem CID 87113321) has the molecular formula C5H11N3O and a molecular weight of 129.16 g/mol. Its IUPAC name is N,N-bis(methylamino)prop-2-enamide.

Molecular Properties

Compound NameN,N-bis(methylamino)prop-2-enamide
PubChem CID87113321
Molecular FormulaC5H11N3O
Molecular Weight129.16 g/mol
Exact Mass129.09
IUPAC NameN,N-bis(methylamino)prop-2-enamide
SMILESC=CC(=O)N(NC)NC
InChIInChI=1S/C5H11N3O/c1-4-5(9)8(6-2)7-3/h4,6-7H,1H2,2-3H3
InChIKeyQFBCWTKGNSKATM-UHFFFAOYSA-N
XLogP-0.73
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(methylamino)prop-2-enamide?
The IUPAC name of N,N-bis(methylamino)prop-2-enamide (CID 87113321) is N,N-bis(methylamino)prop-2-enamide.
What is the SMILES notation for N,N-bis(methylamino)prop-2-enamide?
The canonical SMILES for N,N-bis(methylamino)prop-2-enamide is C=CC(=O)N(NC)NC.
What is the InChIKey of N,N-bis(methylamino)prop-2-enamide?
The InChIKey is QFBCWTKGNSKATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3O/c1-4-5(9)8(6-2)7-3/h4,6-7H,1H2,2-3H3.
What are the key properties of N,N-bis(methylamino)prop-2-enamide?
N,N-bis(methylamino)prop-2-enamide has a molecular weight of 129.16 g/mol, XLogP of -0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(methylamino)prop-2-enamide is sourced from PubChem (CID 87113321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).