N-[(1R,2S)-2-methoxy-2-methyl-1-[(2R,3S)-3-prop-1-enylpyrrolidin-2-yl]pentyl]acetamide

C16H30N2O2 — CID 91036341

IUPACN-[(1R,2S)-2-methoxy-2-methyl-1-[(2R,3S)-3-prop-1-enylpyrrolidin-2-yl]pentyl]acetamide
SMILESCC=C[C@@H]1CCN[C@H]1[C@@H](NC(C)=O)[C@](C)(CCC)OC
InChIInChI=1S/C16H30N2O2/c1-6-8-13-9-11-17-14(13)15(18-12(3)19)16(4,20-5)10-7-2/h6,8,13-15,17H,7,9-11H2,1-5H3,(H,18,19)/t13-,14-,15-,16+/m1/s1
InChIKeyQDJOJYDALXFMBH-FPCVCCKLSA-N
MW282.43 g/mol
LogP2.25
Rot. Bonds7

About N-[(1R,2S)-2-methoxy-2-methyl-1-[(2R,3S)-3-prop-1-enylpyrrolidin-2-yl]pentyl]acetamide

N-[(1R,2S)-2-methoxy-2-methyl-1-[(2R,3S)-3-prop-1-enylpyrrolidin-2-yl]pentyl]acetamide (PubChem CID 91036341) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N-[(1R,2S)-2-methoxy-2-methyl-1-[(2R,3S)-3-prop-1-enylpyrrolidin-2-yl]pentyl]acetamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-methoxy-2-methyl-1-[(2R,3S)-3-prop-1-enylpyrrolidin-2-yl]pentyl]acetamide
PubChem CID91036341
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC NameN-[(1R,2S)-2-methoxy-2-methyl-1-[(2R,3S)-3-prop-1-enylpyrrolidin-2-yl]pentyl]acetamide
SMILESCC=C[C@@H]1CCN[C@H]1[C@@H](NC(C)=O)[C@](C)(CCC)OC
InChIInChI=1S/C16H30N2O2/c1-6-8-13-9-11-17-14(13)15(18-12(3)19)16(4,20-5)10-7-2/h6,8,13-15,17H,7,9-11H2,1-5H3,(H,18,19)/t13-,14-,15-,16+/m1/s1
InChIKeyQDJOJYDALXFMBH-FPCVCCKLSA-N
XLogP2.25
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S,4R,5S)-5-[(1R,2S)-1-acetamido-2-methoxy-2-methylpentyl]-4-[(Z)-prop-1-enyl]pyrrolidine-2-carboxylic acid
CID 101179997
2-methylpropyl (2S,4S,5R)-5-[(1R,2S)-1-acetamido-2-methoxy-2-methylpentyl]-4-prop-1-enylpyrrolidine-2-carboxylate
CID 91235140
[(2S,4S,5R)-5-[(2S)-1-acetamido-2-methoxy-2-methylpentyl]-4-[(Z)-3-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]prop-1-enyl]pyrrolidin-2-yl] formate
CID 164844479
tert-butyl N-[(1R,2S)-2-methoxy-1-[(2R,3S)-1-[(4-methoxyphenyl)methyl]-5-oxo-3-[(Z)-prop-1-enyl]pyrrolidin-2-yl]-2-methylpentyl]carbamate
CID 11420119
tert-butyl (2R,3S,5R)-2-[(1R,2S)-1-acetamido-2-hydroxy-2-methylpentyl]-5-cyano-3-prop-1-enylpyrrolidine-1-carboxylate
CID 90789993
(2R,4S)-5-(1-amino-2-methoxy-2-methylbutyl)-4-[(Z)-prop-1-enyl]pyrrolidine-2-carboxylic acid
CID 59911040
ditert-butyl (2S,4S,5R)-5-[(1R,2S)-1-acetamido-2-methyl-2-prop-2-enoxypent-4-enyl]-4-prop-1-enylpyrrolidine-1,2-dicarboxylate
CID 90847704
3-methoxy-3-methylhexan-2-one
CID 83225432
tert-butyl N-[(2S)-1-[(3S)-1-deuterio-2-oxopyrrolidin-3-yl]-3-hydroxypropan-2-yl]carbamate
CID 59038106
ethyl (2S,4S,5R)-5-[(1S)-1-acetamido-2-ethylbutyl]-4-prop-1-enylpyrrolidine-2-carboxylate
CID 57036124
ditert-butyl (2S,4S,5R)-5-[(1R)-1-acetamido-3-ethyl-2-oxopentyl]-4-prop-1-enylpyrrolidine-1,2-dicarboxylate
CID 57172565
2-methylpentan-2-yloxycarbonyl (2S)-pyrrolidine-2-carboxylate
CID 175823101

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-methoxy-2-methyl-1-[(2R,3S)-3-prop-1-enylpyrrolidin-2-yl]pentyl]acetamide?
The IUPAC name of N-[(1R,2S)-2-methoxy-2-methyl-1-[(2R,3S)-3-prop-1-enylpyrrolidin-2-yl]pentyl]acetamide (CID 91036341) is N-[(1R,2S)-2-methoxy-2-methyl-1-[(2R,3S)-3-prop-1-enylpyrrolidin-2-yl]pentyl]acetamide.
What is the SMILES notation for N-[(1R,2S)-2-methoxy-2-methyl-1-[(2R,3S)-3-prop-1-enylpyrrolidin-2-yl]pentyl]acetamide?
The canonical SMILES for N-[(1R,2S)-2-methoxy-2-methyl-1-[(2R,3S)-3-prop-1-enylpyrrolidin-2-yl]pentyl]acetamide is CC=C[C@@H]1CCN[C@H]1[C@@H](NC(C)=O)[C@](C)(CCC)OC.
What is the InChIKey of N-[(1R,2S)-2-methoxy-2-methyl-1-[(2R,3S)-3-prop-1-enylpyrrolidin-2-yl]pentyl]acetamide?
The InChIKey is QDJOJYDALXFMBH-FPCVCCKLSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-6-8-13-9-11-17-14(13)15(18-12(3)19)16(4,20-5)10-7-2/h6,8,13-15,17H,7,9-11H2,1-5H3,(H,18,19)/t13-,14-,15-,16+/m1/s1.
What are the key properties of N-[(1R,2S)-2-methoxy-2-methyl-1-[(2R,3S)-3-prop-1-enylpyrrolidin-2-yl]pentyl]acetamide?
N-[(1R,2S)-2-methoxy-2-methyl-1-[(2R,3S)-3-prop-1-enylpyrrolidin-2-yl]pentyl]acetamide has a molecular weight of 282.43 g/mol, XLogP of 2.25, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-methoxy-2-methyl-1-[(2R,3S)-3-prop-1-enylpyrrolidin-2-yl]pentyl]acetamide is sourced from PubChem (CID 91036341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).