2,2-dimethyl-N-[(2S)-pent-4-en-2-yl]pyrrolidine-1-carboxamide

C12H22N2O — CID 99840092

IUPAC2,2-dimethyl-N-[(2S)-pent-4-en-2-yl]pyrrolidine-1-carboxamide
SMILESC=CC[C@H](C)NC(=O)N1CCCC1(C)C
InChIInChI=1S/C12H22N2O/c1-5-7-10(2)13-11(15)14-9-6-8-12(14,3)4/h5,10H,1,6-9H2,2-4H3,(H,13,15)/t10-/m0/s1
InChIKeyNONDIHFPIITJLK-JTQLQIEISA-N
MW210.32 g/mol
LogP2.54
Rot. Bonds3

About 2,2-dimethyl-N-[(2S)-pent-4-en-2-yl]pyrrolidine-1-carboxamide

2,2-dimethyl-N-[(2S)-pent-4-en-2-yl]pyrrolidine-1-carboxamide (PubChem CID 99840092) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(2S)-pent-4-en-2-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[(2S)-pent-4-en-2-yl]pyrrolidine-1-carboxamide
PubChem CID99840092
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name2,2-dimethyl-N-[(2S)-pent-4-en-2-yl]pyrrolidine-1-carboxamide
SMILESC=CC[C@H](C)NC(=O)N1CCCC1(C)C
InChIInChI=1S/C12H22N2O/c1-5-7-10(2)13-11(15)14-9-6-8-12(14,3)4/h5,10H,1,6-9H2,2-4H3,(H,13,15)/t10-/m0/s1
InChIKeyNONDIHFPIITJLK-JTQLQIEISA-N
XLogP2.54
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(3,7-dimethylocta-1,6-dien-3-yl)pyrrolidine-1-carboxamide
CID 12274567
N-(1-ethenylcyclopentyl)pyrrolidine-1-carboxamide
CID 138976973
1-Oct-1-en-3-ylimidazolidin-2-one
CID 69581015
1-Pentyl-4-prop-2-enylimidazolidin-2-one
CID 69581016
1-Ethyl-4-prop-2-enylimidazolidin-2-one
CID 69811505
4-But-3-enyl-4-methylimidazolidin-2-one
CID 130006840
1-(4-Methylpent-1-en-3-yl)imidazolidin-2-one
CID 174605951
1-(4-Methylhex-1-en-3-yl)imidazolidin-2-one
CID 174620836
1-Ethyl-3-(6-methylhept-1-en-4-yl)urea
CID 175926182
N-methyl-2-[(E)-prop-1-enyl]pyrrolidine-1-carboxamide
CID 14242465
2,2-dimethyl-N-[(2R)-pent-4-en-2-yl]pyrrolidine-1-carboxamide
CID 99840093
N-propan-2-yl-1,3,3a,4,7,7a-hexahydroisoindole-2-carboxamide
CID 108487034

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(2S)-pent-4-en-2-yl]pyrrolidine-1-carboxamide?
The IUPAC name of 2,2-dimethyl-N-[(2S)-pent-4-en-2-yl]pyrrolidine-1-carboxamide (CID 99840092) is 2,2-dimethyl-N-[(2S)-pent-4-en-2-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 2,2-dimethyl-N-[(2S)-pent-4-en-2-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for 2,2-dimethyl-N-[(2S)-pent-4-en-2-yl]pyrrolidine-1-carboxamide is C=CC[C@H](C)NC(=O)N1CCCC1(C)C.
What is the InChIKey of 2,2-dimethyl-N-[(2S)-pent-4-en-2-yl]pyrrolidine-1-carboxamide?
The InChIKey is NONDIHFPIITJLK-JTQLQIEISA-N. The full InChI is InChI=1S/C12H22N2O/c1-5-7-10(2)13-11(15)14-9-6-8-12(14,3)4/h5,10H,1,6-9H2,2-4H3,(H,13,15)/t10-/m0/s1.
What are the key properties of 2,2-dimethyl-N-[(2S)-pent-4-en-2-yl]pyrrolidine-1-carboxamide?
2,2-dimethyl-N-[(2S)-pent-4-en-2-yl]pyrrolidine-1-carboxamide has a molecular weight of 210.32 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(2S)-pent-4-en-2-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 99840092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).