N-(2-methylpropyl)-1-prop-2-enoylpyrrolidine-3-carboxamide

C12H20N2O2 — CID 169079209

IUPACN-(2-methylpropyl)-1-prop-2-enoylpyrrolidine-3-carboxamide
SMILESC=CC(=O)N1CCC(C(=O)NCC(C)C)C1
InChIInChI=1S/C12H20N2O2/c1-4-11(15)14-6-5-10(8-14)12(16)13-7-9(2)3/h4,9-10H,1,5-8H2,2-3H3,(H,13,16)
InChIKeyCAYCSKDPRNIMPQ-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.79
Rot. Bonds4

About N-(2-methylpropyl)-1-prop-2-enoylpyrrolidine-3-carboxamide

N-(2-methylpropyl)-1-prop-2-enoylpyrrolidine-3-carboxamide (PubChem CID 169079209) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is N-(2-methylpropyl)-1-prop-2-enoylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-1-prop-2-enoylpyrrolidine-3-carboxamide
PubChem CID169079209
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC NameN-(2-methylpropyl)-1-prop-2-enoylpyrrolidine-3-carboxamide
SMILESC=CC(=O)N1CCC(C(=O)NCC(C)C)C1
InChIInChI=1S/C12H20N2O2/c1-4-11(15)14-6-5-10(8-14)12(16)13-7-9(2)3/h4,9-10H,1,5-8H2,2-3H3,(H,13,16)
InChIKeyCAYCSKDPRNIMPQ-UHFFFAOYSA-N
XLogP0.79
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3S)-N-(2-phenylpropyl)-1-prop-2-enoylpiperidine-3-carboxamide
CID 172889923
(3S)-N-benzyl-1-prop-2-enoylpyrrolidine-3-carboxamide
CID 170709592
methyl 4-(2-methylpropylcarbamoyl)piperidine-1-carboxylate
CID 110754077
1-(2-methylpropylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63031885
1-[3-[4-(2-hydroxypropyl)piperidine-1-carbonyl]azetidin-1-yl]prop-2-en-1-one
CID 154876937
N-(2-methylpropyl)cyclooctanecarboxamide
CID 65022959
N,1-bis(2-methylpropyl)piperidine-4-carboxamide
CID 883892
1-[3-(2-methylpropyl)azetidin-1-yl]prop-2-en-1-one
CID 130318558
1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]prop-2-en-1-one
CID 112624811
1-acetyl-N-(2-hydroxypropyl)piperidine-4-carboxamide
CID 43392752
N-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-1-prop-2-enoylpyrrolidine-3-carboxamide
CID 166420165
N-tert-butyl-1-prop-2-enoylpiperidine-3-carboxamide
CID 138719004

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-1-prop-2-enoylpyrrolidine-3-carboxamide?
The IUPAC name of N-(2-methylpropyl)-1-prop-2-enoylpyrrolidine-3-carboxamide (CID 169079209) is N-(2-methylpropyl)-1-prop-2-enoylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-1-prop-2-enoylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-1-prop-2-enoylpyrrolidine-3-carboxamide is C=CC(=O)N1CCC(C(=O)NCC(C)C)C1.
What is the InChIKey of N-(2-methylpropyl)-1-prop-2-enoylpyrrolidine-3-carboxamide?
The InChIKey is CAYCSKDPRNIMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-4-11(15)14-6-5-10(8-14)12(16)13-7-9(2)3/h4,9-10H,1,5-8H2,2-3H3,(H,13,16).
What are the key properties of N-(2-methylpropyl)-1-prop-2-enoylpyrrolidine-3-carboxamide?
N-(2-methylpropyl)-1-prop-2-enoylpyrrolidine-3-carboxamide has a molecular weight of 224.30 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-1-prop-2-enoylpyrrolidine-3-carboxamide is sourced from PubChem (CID 169079209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).