N-methyl-N-[(2S)-5-pyrrolidin-1-ylpent-3-yn-2-yl]acetamide

C12H20N2O — CID 54392969

IUPACN-methyl-N-[(2S)-5-pyrrolidin-1-ylpent-3-yn-2-yl]acetamide
SMILESCC(=O)N(C)[C@@H](C)C#CCN1CCCC1
InChIInChI=1S/C12H20N2O/c1-11(13(3)12(2)15)7-6-10-14-8-4-5-9-14/h11H,4-5,8-10H2,1-3H3/t11-/m0/s1
InChIKeyVHYUYQHTMPWAPK-NSHDSACASA-N
MW208.31 g/mol
LogP0.95
Rot. Bonds2

About N-methyl-N-[(2S)-5-pyrrolidin-1-ylpent-3-yn-2-yl]acetamide

N-methyl-N-[(2S)-5-pyrrolidin-1-ylpent-3-yn-2-yl]acetamide (PubChem CID 54392969) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is N-methyl-N-[(2S)-5-pyrrolidin-1-ylpent-3-yn-2-yl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[(2S)-5-pyrrolidin-1-ylpent-3-yn-2-yl]acetamide
PubChem CID54392969
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC NameN-methyl-N-[(2S)-5-pyrrolidin-1-ylpent-3-yn-2-yl]acetamide
SMILESCC(=O)N(C)[C@@H](C)C#CCN1CCCC1
InChIInChI=1S/C12H20N2O/c1-11(13(3)12(2)15)7-6-10-14-8-4-5-9-14/h11H,4-5,8-10H2,1-3H3/t11-/m0/s1
InChIKeyVHYUYQHTMPWAPK-NSHDSACASA-N
XLogP0.95
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2S)-5-pyrrolidin-1-ylpent-3-yn-2-yl]acetamide?
The IUPAC name of N-methyl-N-[(2S)-5-pyrrolidin-1-ylpent-3-yn-2-yl]acetamide (CID 54392969) is N-methyl-N-[(2S)-5-pyrrolidin-1-ylpent-3-yn-2-yl]acetamide.
What is the SMILES notation for N-methyl-N-[(2S)-5-pyrrolidin-1-ylpent-3-yn-2-yl]acetamide?
The canonical SMILES for N-methyl-N-[(2S)-5-pyrrolidin-1-ylpent-3-yn-2-yl]acetamide is CC(=O)N(C)[C@@H](C)C#CCN1CCCC1.
What is the InChIKey of N-methyl-N-[(2S)-5-pyrrolidin-1-ylpent-3-yn-2-yl]acetamide?
The InChIKey is VHYUYQHTMPWAPK-NSHDSACASA-N. The full InChI is InChI=1S/C12H20N2O/c1-11(13(3)12(2)15)7-6-10-14-8-4-5-9-14/h11H,4-5,8-10H2,1-3H3/t11-/m0/s1.
What are the key properties of N-methyl-N-[(2S)-5-pyrrolidin-1-ylpent-3-yn-2-yl]acetamide?
N-methyl-N-[(2S)-5-pyrrolidin-1-ylpent-3-yn-2-yl]acetamide has a molecular weight of 208.31 g/mol, XLogP of 0.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2S)-5-pyrrolidin-1-ylpent-3-yn-2-yl]acetamide is sourced from PubChem (CID 54392969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).