dimethyl-[3-(2-methylprop-2-enoylamino)propyl]-[(2-oxopyrrolidin-1-yl)methyl]azanium

C14H26N3O2+ — CID 23053599

IUPACdimethyl-[3-(2-methylprop-2-enoylamino)propyl]-[(2-oxopyrrolidin-1-yl)methyl]azanium
SMILESC=C(C)C(=O)NCCC[N+](C)(C)CN1CCCC1=O
InChIInChI=1S/C14H25N3O2/c1-12(2)14(19)15-8-6-10-17(3,4)11-16-9-5-7-13(16)18/h1,5-11H2,2-4H3/p+1
InChIKeySBRIAVFTPBMKTK-UHFFFAOYSA-O
MW268.38 g/mol
LogP0.73
Rot. Bonds7

About dimethyl-[3-(2-methylprop-2-enoylamino)propyl]-[(2-oxopyrrolidin-1-yl)methyl]azanium

dimethyl-[3-(2-methylprop-2-enoylamino)propyl]-[(2-oxopyrrolidin-1-yl)methyl]azanium (PubChem CID 23053599) has the molecular formula C14H26N3O2+ and a molecular weight of 268.38 g/mol. Its IUPAC name is dimethyl-[3-(2-methylprop-2-enoylamino)propyl]-[(2-oxopyrrolidin-1-yl)methyl]azanium.

Molecular Properties

Compound Namedimethyl-[3-(2-methylprop-2-enoylamino)propyl]-[(2-oxopyrrolidin-1-yl)methyl]azanium
PubChem CID23053599
Molecular FormulaC14H26N3O2+
Molecular Weight268.38 g/mol
Exact Mass268.20
IUPAC Namedimethyl-[3-(2-methylprop-2-enoylamino)propyl]-[(2-oxopyrrolidin-1-yl)methyl]azanium
SMILESC=C(C)C(=O)NCCC[N+](C)(C)CN1CCCC1=O
InChIInChI=1S/C14H25N3O2/c1-12(2)14(19)15-8-6-10-17(3,4)11-16-9-5-7-13(16)18/h1,5-11H2,2-4H3/p+1
InChIKeySBRIAVFTPBMKTK-UHFFFAOYSA-O
XLogP0.73
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl-[3-(2-methylprop-2-enoylamino)propyl]-[(2-oxopyrrolidin-1-yl)methyl]azanium?
The IUPAC name of dimethyl-[3-(2-methylprop-2-enoylamino)propyl]-[(2-oxopyrrolidin-1-yl)methyl]azanium (CID 23053599) is dimethyl-[3-(2-methylprop-2-enoylamino)propyl]-[(2-oxopyrrolidin-1-yl)methyl]azanium.
What is the SMILES notation for dimethyl-[3-(2-methylprop-2-enoylamino)propyl]-[(2-oxopyrrolidin-1-yl)methyl]azanium?
The canonical SMILES for dimethyl-[3-(2-methylprop-2-enoylamino)propyl]-[(2-oxopyrrolidin-1-yl)methyl]azanium is C=C(C)C(=O)NCCC[N+](C)(C)CN1CCCC1=O.
What is the InChIKey of dimethyl-[3-(2-methylprop-2-enoylamino)propyl]-[(2-oxopyrrolidin-1-yl)methyl]azanium?
The InChIKey is SBRIAVFTPBMKTK-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H25N3O2/c1-12(2)14(19)15-8-6-10-17(3,4)11-16-9-5-7-13(16)18/h1,5-11H2,2-4H3/p+1.
What are the key properties of dimethyl-[3-(2-methylprop-2-enoylamino)propyl]-[(2-oxopyrrolidin-1-yl)methyl]azanium?
dimethyl-[3-(2-methylprop-2-enoylamino)propyl]-[(2-oxopyrrolidin-1-yl)methyl]azanium has a molecular weight of 268.38 g/mol, XLogP of 0.73, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[3-(2-methylprop-2-enoylamino)propyl]-[(2-oxopyrrolidin-1-yl)methyl]azanium is sourced from PubChem (CID 23053599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).