(E)-2,2-dimethyl-1-pyrrolidin-1-yldec-8-ene-1,3-dione

C16H27NO2 — CID 10611743

IUPAC(E)-2,2-dimethyl-1-pyrrolidin-1-yldec-8-ene-1,3-dione
SMILESC/C=C/CCCCC(=O)C(C)(C)C(=O)N1CCCC1
InChIInChI=1S/C16H27NO2/c1-4-5-6-7-8-11-14(18)16(2,3)15(19)17-12-9-10-13-17/h4-5H,6-13H2,1-3H3/b5-4+
InChIKeyHXMVZBKYXDNRDI-SNAWJCMRSA-N
MW265.40 g/mol
LogP3.34
Rot. Bonds7

About (E)-2,2-dimethyl-1-pyrrolidin-1-yldec-8-ene-1,3-dione

(E)-2,2-dimethyl-1-pyrrolidin-1-yldec-8-ene-1,3-dione (PubChem CID 10611743) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is (E)-2,2-dimethyl-1-pyrrolidin-1-yldec-8-ene-1,3-dione.

Molecular Properties

Compound Name(E)-2,2-dimethyl-1-pyrrolidin-1-yldec-8-ene-1,3-dione
PubChem CID10611743
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name(E)-2,2-dimethyl-1-pyrrolidin-1-yldec-8-ene-1,3-dione
SMILESC/C=C/CCCCC(=O)C(C)(C)C(=O)N1CCCC1
InChIInChI=1S/C16H27NO2/c1-4-5-6-7-8-11-14(18)16(2,3)15(19)17-12-9-10-13-17/h4-5H,6-13H2,1-3H3/b5-4+
InChIKeyHXMVZBKYXDNRDI-SNAWJCMRSA-N
XLogP3.34
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(E)-1-(2,3-dihydro-1H-pyrrol-1-yl)-2-methyldec-8-ene-1,3-dione
CID 10800632
(E,2R)-1-(2,3-dihydropyrrol-1-yl)-2-methyldec-8-ene-1,3-dione
CID 163025036
N-(2-methyl-3-oxodec-8-enoyl)-2-pyrroline
CID 53954211
N,N-diethyl-2-oxo-1-prop-2-enylcyclopentane-1-carboxamide
CID 101439008
15-Methyl-11-hexadecenoic acid pyrrolidide
CID 129724401
9-Methyl-11-hexadecenoic acid pyrrolidide
CID 129726335
2-Methyl-13-icosenoic acid pyrrolidide
CID 129853880
17-Methyl-13-octadecenoic acid pyrrolidide
CID 129854066
N,N-diethyl-2-oxo-1-(4-trimethylsilylbut-2-enyl)cyclopentane-1-carboxamide
CID 134975161
Pyrrolidine, 1-(1-oxo-14-methyl-8-hexadecenyl)-
CID 5370365
Pyrrolidine, 1-(1-oxo-7-methyl-8-hexadecenyl)-
CID 5370367
(E)-2-methyl-1-pyrrolidin-1-yldec-8-ene-1,3-dione
CID 10514913

Frequently Asked Questions

What is the IUPAC name of (E)-2,2-dimethyl-1-pyrrolidin-1-yldec-8-ene-1,3-dione?
The IUPAC name of (E)-2,2-dimethyl-1-pyrrolidin-1-yldec-8-ene-1,3-dione (CID 10611743) is (E)-2,2-dimethyl-1-pyrrolidin-1-yldec-8-ene-1,3-dione.
What is the SMILES notation for (E)-2,2-dimethyl-1-pyrrolidin-1-yldec-8-ene-1,3-dione?
The canonical SMILES for (E)-2,2-dimethyl-1-pyrrolidin-1-yldec-8-ene-1,3-dione is C/C=C/CCCCC(=O)C(C)(C)C(=O)N1CCCC1.
What is the InChIKey of (E)-2,2-dimethyl-1-pyrrolidin-1-yldec-8-ene-1,3-dione?
The InChIKey is HXMVZBKYXDNRDI-SNAWJCMRSA-N. The full InChI is InChI=1S/C16H27NO2/c1-4-5-6-7-8-11-14(18)16(2,3)15(19)17-12-9-10-13-17/h4-5H,6-13H2,1-3H3/b5-4+.
What are the key properties of (E)-2,2-dimethyl-1-pyrrolidin-1-yldec-8-ene-1,3-dione?
(E)-2,2-dimethyl-1-pyrrolidin-1-yldec-8-ene-1,3-dione has a molecular weight of 265.40 g/mol, XLogP of 3.34, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,2-dimethyl-1-pyrrolidin-1-yldec-8-ene-1,3-dione is sourced from PubChem (CID 10611743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).