[tert-butyl(dimethyl)silyl] 2-(1-methylpyrrolidin-2-yl)-N-prop-2-enoxycarbonylethanimidate

C17H32N2O3Si — CID 70373954

IUPAC[tert-butyl(dimethyl)silyl] 2-(1-methylpyrrolidin-2-yl)-N-prop-2-enoxycarbonylethanimidate
SMILESC=CCOC(=O)N=C(CC1CCCN1C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32N2O3Si/c1-8-12-21-16(20)18-15(13-14-10-9-11-19(14)5)22-23(6,7)17(2,3)4/h8,14H,1,9-13H2,2-7H3
InChIKeyUGFHIFDNNFDASB-UHFFFAOYSA-N
MW340.54 g/mol
LogP4.21
Rot. Bonds5

About [tert-butyl(dimethyl)silyl] 2-(1-methylpyrrolidin-2-yl)-N-prop-2-enoxycarbonylethanimidate

[tert-butyl(dimethyl)silyl] 2-(1-methylpyrrolidin-2-yl)-N-prop-2-enoxycarbonylethanimidate (PubChem CID 70373954) has the molecular formula C17H32N2O3Si and a molecular weight of 340.54 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] 2-(1-methylpyrrolidin-2-yl)-N-prop-2-enoxycarbonylethanimidate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] 2-(1-methylpyrrolidin-2-yl)-N-prop-2-enoxycarbonylethanimidate
PubChem CID70373954
Molecular FormulaC17H32N2O3Si
Molecular Weight340.54 g/mol
Exact Mass340.22
IUPAC Name[tert-butyl(dimethyl)silyl] 2-(1-methylpyrrolidin-2-yl)-N-prop-2-enoxycarbonylethanimidate
SMILESC=CCOC(=O)N=C(CC1CCCN1C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32N2O3Si/c1-8-12-21-16(20)18-15(13-14-10-9-11-19(14)5)22-23(6,7)17(2,3)4/h8,14H,1,9-13H2,2-7H3
InChIKeyUGFHIFDNNFDASB-UHFFFAOYSA-N
XLogP4.21
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.54
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[tert-butyl(dimethyl)silyl]oxy-2-[(2S)-1-prop-2-enoxycarbonylpyrrolidin-2-yl]acetic acid
CID 10405189
2-(1-methylpyrrolidin-2-yl)acetamide;hydrochloride
CID 67492380
ethane;1-(1-methylpyrrolidin-2-yl)propan-2-one
CID 91473977
1-[(2S)-1-methylpyrrolidin-2-yl]propan-2-one;hydrochloride
CID 46242410
N-tert-butyl-2-(1-methylpiperidin-2-yl)acetamide
CID 110855384
tert-butyl 2-[(2S)-1-methylpiperidin-2-yl]acetate
CID 134905805
prop-2-enyl (2R,3R)-3-hydroxy-2-methyl-3-(1-methylpyrrolidin-2-yl)propanoate
CID 137383412
N-(1-hydroxy-2-methylpropan-2-yl)-2-[(2S)-1-methylpyrrolidin-2-yl]acetamide
CID 166072076
prop-2-enyl N-(1-methylpyrrolidin-2-ylidene)carbamate
CID 54167556
methanesulfonyl chloride;[(2S)-1-methylpyrrolidin-2-yl]methanol
CID 91224158
2-(1-methylpyrrolidin-2-yl)ethyl furan-2-carboxylate
CID 23738695
methyl-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]phosphinic acid
CID 89327718

Frequently Asked Questions

What is the IUPAC name of [tert-butyl(dimethyl)silyl] 2-(1-methylpyrrolidin-2-yl)-N-prop-2-enoxycarbonylethanimidate?
The IUPAC name of [tert-butyl(dimethyl)silyl] 2-(1-methylpyrrolidin-2-yl)-N-prop-2-enoxycarbonylethanimidate (CID 70373954) is [tert-butyl(dimethyl)silyl] 2-(1-methylpyrrolidin-2-yl)-N-prop-2-enoxycarbonylethanimidate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] 2-(1-methylpyrrolidin-2-yl)-N-prop-2-enoxycarbonylethanimidate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] 2-(1-methylpyrrolidin-2-yl)-N-prop-2-enoxycarbonylethanimidate is C=CCOC(=O)N=C(CC1CCCN1C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [tert-butyl(dimethyl)silyl] 2-(1-methylpyrrolidin-2-yl)-N-prop-2-enoxycarbonylethanimidate?
The InChIKey is UGFHIFDNNFDASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O3Si/c1-8-12-21-16(20)18-15(13-14-10-9-11-19(14)5)22-23(6,7)17(2,3)4/h8,14H,1,9-13H2,2-7H3.
What are the key properties of [tert-butyl(dimethyl)silyl] 2-(1-methylpyrrolidin-2-yl)-N-prop-2-enoxycarbonylethanimidate?
[tert-butyl(dimethyl)silyl] 2-(1-methylpyrrolidin-2-yl)-N-prop-2-enoxycarbonylethanimidate has a molecular weight of 340.54 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(dimethyl)silyl] 2-(1-methylpyrrolidin-2-yl)-N-prop-2-enoxycarbonylethanimidate is sourced from PubChem (CID 70373954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).