N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;pyrrolidin-2-one

C13H25N3O2 — CID 66823176

IUPACN-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;pyrrolidin-2-one
SMILESC=C(C)C(=O)NCCCN(C)C.O=C1CCCN1
InChIInChI=1S/C9H18N2O.C4H7NO/c1-8(2)9(12)10-6-5-7-11(3)4;6-4-2-1-3-5-4/h1,5-7H2,2-4H3,(H,10,12);1-3H2,(H,5,6)
InChIKeyQZXZCQQCWRMLJV-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.53
Rot. Bonds5

About N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;pyrrolidin-2-one

N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;pyrrolidin-2-one (PubChem CID 66823176) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;pyrrolidin-2-one.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;pyrrolidin-2-one
PubChem CID66823176
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC NameN-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;pyrrolidin-2-one
SMILESC=C(C)C(=O)NCCCN(C)C.O=C1CCCN1
InChIInChI=1S/C9H18N2O.C4H7NO/c1-8(2)9(12)10-6-5-7-11(3)4;6-4-2-1-3-5-4/h1,5-7H2,2-4H3,(H,10,12);1-3H2,(H,5,6)
InChIKeyQZXZCQQCWRMLJV-UHFFFAOYSA-N
XLogP0.53
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;pyrrolidin-2-one?
The IUPAC name of N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;pyrrolidin-2-one (CID 66823176) is N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;pyrrolidin-2-one.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;pyrrolidin-2-one?
The canonical SMILES for N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;pyrrolidin-2-one is C=C(C)C(=O)NCCCN(C)C.O=C1CCCN1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;pyrrolidin-2-one?
The InChIKey is QZXZCQQCWRMLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O.C4H7NO/c1-8(2)9(12)10-6-5-7-11(3)4;6-4-2-1-3-5-4/h1,5-7H2,2-4H3,(H,10,12);1-3H2,(H,5,6).
What are the key properties of N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;pyrrolidin-2-one?
N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;pyrrolidin-2-one has a molecular weight of 255.36 g/mol, XLogP of 0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;pyrrolidin-2-one is sourced from PubChem (CID 66823176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).