N-[1-acetyl-4-(methylamino)pyrrolidin-3-yl]prop-2-enamide

C10H17N3O2 — CID 118888329

IUPACN-[1-acetyl-4-(methylamino)pyrrolidin-3-yl]prop-2-enamide
SMILESC=CC(=O)NC1CN(C(C)=O)CC1NC
InChIInChI=1S/C10H17N3O2/c1-4-10(15)12-9-6-13(7(2)14)5-8(9)11-3/h4,8-9,11H,1,5-6H2,2-3H3,(H,12,15)
InChIKeyWVRAYPMNVUVQSD-UHFFFAOYSA-N
MW211.26 g/mol
LogP-0.89
Rot. Bonds3

About N-[1-acetyl-4-(methylamino)pyrrolidin-3-yl]prop-2-enamide

N-[1-acetyl-4-(methylamino)pyrrolidin-3-yl]prop-2-enamide (PubChem CID 118888329) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is N-[1-acetyl-4-(methylamino)pyrrolidin-3-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[1-acetyl-4-(methylamino)pyrrolidin-3-yl]prop-2-enamide
PubChem CID118888329
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC NameN-[1-acetyl-4-(methylamino)pyrrolidin-3-yl]prop-2-enamide
SMILESC=CC(=O)NC1CN(C(C)=O)CC1NC
InChIInChI=1S/C10H17N3O2/c1-4-10(15)12-9-6-13(7(2)14)5-8(9)11-3/h4,8-9,11H,1,5-6H2,2-3H3,(H,12,15)
InChIKeyWVRAYPMNVUVQSD-UHFFFAOYSA-N
XLogP-0.89
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-acetyl-4-(methylamino)pyrrolidin-3-yl]prop-2-enamide?
The IUPAC name of N-[1-acetyl-4-(methylamino)pyrrolidin-3-yl]prop-2-enamide (CID 118888329) is N-[1-acetyl-4-(methylamino)pyrrolidin-3-yl]prop-2-enamide.
What is the SMILES notation for N-[1-acetyl-4-(methylamino)pyrrolidin-3-yl]prop-2-enamide?
The canonical SMILES for N-[1-acetyl-4-(methylamino)pyrrolidin-3-yl]prop-2-enamide is C=CC(=O)NC1CN(C(C)=O)CC1NC.
What is the InChIKey of N-[1-acetyl-4-(methylamino)pyrrolidin-3-yl]prop-2-enamide?
The InChIKey is WVRAYPMNVUVQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-4-10(15)12-9-6-13(7(2)14)5-8(9)11-3/h4,8-9,11H,1,5-6H2,2-3H3,(H,12,15).
What are the key properties of N-[1-acetyl-4-(methylamino)pyrrolidin-3-yl]prop-2-enamide?
N-[1-acetyl-4-(methylamino)pyrrolidin-3-yl]prop-2-enamide has a molecular weight of 211.26 g/mol, XLogP of -0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-acetyl-4-(methylamino)pyrrolidin-3-yl]prop-2-enamide is sourced from PubChem (CID 118888329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).