methyl 1-(3,5-dimethylnon-8-enoyl)pyrrolidine-2-carboxylate

C17H29NO3 — CID 123889214

IUPACmethyl 1-(3,5-dimethylnon-8-enoyl)pyrrolidine-2-carboxylate
SMILESC=CCCC(C)CC(C)CC(=O)N1CCCC1C(=O)OC
InChIInChI=1S/C17H29NO3/c1-5-6-8-13(2)11-14(3)12-16(19)18-10-7-9-15(18)17(20)21-4/h5,13-15H,1,6-12H2,2-4H3
InChIKeyWXRVYOADCLYBLZ-UHFFFAOYSA-N
MW295.42 g/mol
LogP3.17
Rot. Bonds8

About methyl 1-(3,5-dimethylnon-8-enoyl)pyrrolidine-2-carboxylate

methyl 1-(3,5-dimethylnon-8-enoyl)pyrrolidine-2-carboxylate (PubChem CID 123889214) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is methyl 1-(3,5-dimethylnon-8-enoyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3,5-dimethylnon-8-enoyl)pyrrolidine-2-carboxylate
PubChem CID123889214
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Namemethyl 1-(3,5-dimethylnon-8-enoyl)pyrrolidine-2-carboxylate
SMILESC=CCCC(C)CC(C)CC(=O)N1CCCC1C(=O)OC
InChIInChI=1S/C17H29NO3/c1-5-6-8-13(2)11-14(3)12-16(19)18-10-7-9-15(18)17(20)21-4/h5,13-15H,1,6-12H2,2-4H3
InChIKeyWXRVYOADCLYBLZ-UHFFFAOYSA-N
XLogP3.17
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 1-(4-hydroxypentanoyl)piperidine-2-carboxylate
CID 79200751
ethyl 1-(3-methylpentanoyl)pyrrolidine-2-carboxylate
CID 114875756
methyl 1-(3-methoxypropanoyl)pyrrolidine-2-carboxylate
CID 62590989
methyl (2S)-1-(2-methylpropanoyl)pyrrolidine-2-carboxylate
CID 15283061
methyl 1-(2-amino-4-methylpentanoyl)pyrrolidine-2-carboxylate;hydrochloride
CID 70062409
tert-butyl (2S)-1-(4-methoxy-3-methylbutanoyl)pyrrolidine-2-carboxylate
CID 81003523
methyl (2S)-1-[(2R)-2-methyl-4-oxopentanoyl]pyrrolidine-2-carboxylate
CID 11974374
methyl 1-(5-aminohexanoyl)piperidine-2-carboxylate
CID 82851617
2-[(2-methoxycarbonylpyrrolidine-1-carbonyl)-prop-2-enylamino]acetic acid
CID 79277475
prop-2-enyl (2S)-1-hex-5-enoylpyrrolidine-2-carboxylate
CID 90084445
methyl 1-hept-6-enylpyrrolidine-2-carboxylate
CID 107010047
(2R)-1-pent-4-enoylpyrrolidine-2-carboxylic acid
CID 58070890

Frequently Asked Questions

What is the IUPAC name of methyl 1-(3,5-dimethylnon-8-enoyl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-(3,5-dimethylnon-8-enoyl)pyrrolidine-2-carboxylate (CID 123889214) is methyl 1-(3,5-dimethylnon-8-enoyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-(3,5-dimethylnon-8-enoyl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-(3,5-dimethylnon-8-enoyl)pyrrolidine-2-carboxylate is C=CCCC(C)CC(C)CC(=O)N1CCCC1C(=O)OC.
What is the InChIKey of methyl 1-(3,5-dimethylnon-8-enoyl)pyrrolidine-2-carboxylate?
The InChIKey is WXRVYOADCLYBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-5-6-8-13(2)11-14(3)12-16(19)18-10-7-9-15(18)17(20)21-4/h5,13-15H,1,6-12H2,2-4H3.
What are the key properties of methyl 1-(3,5-dimethylnon-8-enoyl)pyrrolidine-2-carboxylate?
methyl 1-(3,5-dimethylnon-8-enoyl)pyrrolidine-2-carboxylate has a molecular weight of 295.42 g/mol, XLogP of 3.17, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3,5-dimethylnon-8-enoyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 123889214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).