N,N-dimethyl-1-[3-(prop-2-enoylamino)propyl]pyrrolidine-2-carboxamide

C13H23N3O2 — CID 146106973

IUPACN,N-dimethyl-1-[3-(prop-2-enoylamino)propyl]pyrrolidine-2-carboxamide
SMILESC=CC(=O)NCCCN1CCCC1C(=O)N(C)C
InChIInChI=1S/C13H23N3O2/c1-4-12(17)14-8-6-10-16-9-5-7-11(16)13(18)15(2)3/h4,11H,1,5-10H2,2-3H3,(H,14,17)
InChIKeyNYAKFCXHGXZYRL-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.23
Rot. Bonds6

About N,N-dimethyl-1-[3-(prop-2-enoylamino)propyl]pyrrolidine-2-carboxamide

N,N-dimethyl-1-[3-(prop-2-enoylamino)propyl]pyrrolidine-2-carboxamide (PubChem CID 146106973) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is N,N-dimethyl-1-[3-(prop-2-enoylamino)propyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1-[3-(prop-2-enoylamino)propyl]pyrrolidine-2-carboxamide
PubChem CID146106973
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC NameN,N-dimethyl-1-[3-(prop-2-enoylamino)propyl]pyrrolidine-2-carboxamide
SMILESC=CC(=O)NCCCN1CCCC1C(=O)N(C)C
InChIInChI=1S/C13H23N3O2/c1-4-12(17)14-8-6-10-16-9-5-7-11(16)13(18)15(2)3/h4,11H,1,5-10H2,2-3H3,(H,14,17)
InChIKeyNYAKFCXHGXZYRL-UHFFFAOYSA-N
XLogP0.23
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.23
H-Bond Donors ≤ 51
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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Related Compounds

(2R)-N,N-dimethyl-1-[3-[[(E)-3-pyridin-2-ylprop-2-enoyl]amino]propyl]pyrrolidine-2-carboxamide
CID 95338435
(2R)-N,N-dimethyl-1-[3-[[(Z)-3-pyridin-2-ylprop-2-enoyl]amino]propyl]pyrrolidine-2-carboxamide
CID 98481387
(2S)-N,N-dimethyl-1-[3-[[(Z)-3-(1,3-thiazol-4-yl)prop-2-enoyl]amino]propyl]pyrrolidine-2-carboxamide
CID 98481402
(2R)-N,N-dimethyl-1-[3-[[(E)-3-(1,3-thiazol-4-yl)prop-2-enoyl]amino]propyl]pyrrolidine-2-carboxamide
CID 95330690
(2R)-N,N-dimethyl-1-[3-[(4-methylbenzoyl)amino]propyl]pyrrolidine-2-carboxamide
CID 95303248
1-[3-[[N-(cyclopropylmethyl)-N'-methylcarbamimidoyl]amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide;hydroiodide
CID 111867311
N,N-dimethyl-1-[3-[[N'-methyl-N-(2-piperidin-1-ylethyl)carbamimidoyl]amino]propyl]pyrrolidine-2-carboxamide
CID 111416179
(3aS,7aR)-N-[3-[(2R)-2-(dimethylcarbamoyl)pyrrolidin-1-yl]propyl]-1,3,3a,4,7,7a-hexahydroisoindole-2-carboxamide
CID 95933779
(2R)-1-[3-[(4-chlorobenzoyl)amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 52860378
1-[3-[(N-butan-2-yl-N'-methylcarbamimidoyl)amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 110945294
(2S)-1-[3-[(2-fluorobenzoyl)amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 95287372
N,N-dimethyl-1-[3-[[N'-methyl-N-(3-methylbutyl)carbamimidoyl]amino]propyl]pyrrolidine-2-carboxamide;hydroiodide
CID 110978722

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[3-(prop-2-enoylamino)propyl]pyrrolidine-2-carboxamide?
The IUPAC name of N,N-dimethyl-1-[3-(prop-2-enoylamino)propyl]pyrrolidine-2-carboxamide (CID 146106973) is N,N-dimethyl-1-[3-(prop-2-enoylamino)propyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-1-[3-(prop-2-enoylamino)propyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N,N-dimethyl-1-[3-(prop-2-enoylamino)propyl]pyrrolidine-2-carboxamide is C=CC(=O)NCCCN1CCCC1C(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-1-[3-(prop-2-enoylamino)propyl]pyrrolidine-2-carboxamide?
The InChIKey is NYAKFCXHGXZYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-4-12(17)14-8-6-10-16-9-5-7-11(16)13(18)15(2)3/h4,11H,1,5-10H2,2-3H3,(H,14,17).
What are the key properties of N,N-dimethyl-1-[3-(prop-2-enoylamino)propyl]pyrrolidine-2-carboxamide?
N,N-dimethyl-1-[3-(prop-2-enoylamino)propyl]pyrrolidine-2-carboxamide has a molecular weight of 253.35 g/mol, XLogP of 0.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[3-(prop-2-enoylamino)propyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 146106973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).