(2Z)-1-(4-tert-butyl-2-methylphenyl)-2-ethylidenepyrrolidine

C17H25N — CID 138463455

IUPAC(2Z)-1-(4-tert-butyl-2-methylphenyl)-2-ethylidenepyrrolidine
SMILESC/C=C1/CCCN1c1ccc(C(C)(C)C)cc1C
InChIInChI=1S/C17H25N/c1-6-15-8-7-11-18(15)16-10-9-14(12-13(16)2)17(3,4)5/h6,9-10,12H,7-8,11H2,1-5H3/b15-6-
InChIKeySXYPZSCLSSPWBN-UUASQNMZSA-N
MW243.39 g/mol
LogP4.80
Rot. Bonds1

About (2Z)-1-(4-tert-butyl-2-methylphenyl)-2-ethylidenepyrrolidine

(2Z)-1-(4-tert-butyl-2-methylphenyl)-2-ethylidenepyrrolidine (PubChem CID 138463455) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is (2Z)-1-(4-tert-butyl-2-methylphenyl)-2-ethylidenepyrrolidine.

Molecular Properties

Compound Name(2Z)-1-(4-tert-butyl-2-methylphenyl)-2-ethylidenepyrrolidine
PubChem CID138463455
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name(2Z)-1-(4-tert-butyl-2-methylphenyl)-2-ethylidenepyrrolidine
SMILESC/C=C1/CCCN1c1ccc(C(C)(C)C)cc1C
InChIInChI=1S/C17H25N/c1-6-15-8-7-11-18(15)16-10-9-14(12-13(16)2)17(3,4)5/h6,9-10,12H,7-8,11H2,1-5H3/b15-6-
InChIKeySXYPZSCLSSPWBN-UUASQNMZSA-N
XLogP4.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-amino-4-tert-butylphenyl)pyrrolidin-2-one
CID 166609111
1-(4-iodo-2-methylphenyl)pyrrolidin-2-one
CID 146014874
1-(4-methoxy-2-methylphenyl)pyrrolidin-2-one
CID 25155815
(2S,6R)-4-(4-tert-butyl-2-methylphenyl)-2,6-dimethylmorpholine
CID 129268317
1-[2-methyl-4-(propylamino)phenyl]pyrrolidin-2-one
CID 63090031
1-(4-amino-2-methylphenyl)piperidin-2-one;ethane
CID 142825432
(2R,5S)-1-(4-tert-butyl-2-methylphenyl)-2,4,5-trimethylpiperazine
CID 168755973
4-(5-tert-butyl-2-methylphenyl)-1,2,4-triazole
CID 146480340
5-tert-butyl-2-methylaniline
CID 13089979
2-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 67117839
4-[[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoic acid
CID 45393767
N'-(3,5-dimethylphenyl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679282

Frequently Asked Questions

What is the IUPAC name of (2Z)-1-(4-tert-butyl-2-methylphenyl)-2-ethylidenepyrrolidine?
The IUPAC name of (2Z)-1-(4-tert-butyl-2-methylphenyl)-2-ethylidenepyrrolidine (CID 138463455) is (2Z)-1-(4-tert-butyl-2-methylphenyl)-2-ethylidenepyrrolidine.
What is the SMILES notation for (2Z)-1-(4-tert-butyl-2-methylphenyl)-2-ethylidenepyrrolidine?
The canonical SMILES for (2Z)-1-(4-tert-butyl-2-methylphenyl)-2-ethylidenepyrrolidine is C/C=C1/CCCN1c1ccc(C(C)(C)C)cc1C.
What is the InChIKey of (2Z)-1-(4-tert-butyl-2-methylphenyl)-2-ethylidenepyrrolidine?
The InChIKey is SXYPZSCLSSPWBN-UUASQNMZSA-N. The full InChI is InChI=1S/C17H25N/c1-6-15-8-7-11-18(15)16-10-9-14(12-13(16)2)17(3,4)5/h6,9-10,12H,7-8,11H2,1-5H3/b15-6-.
What are the key properties of (2Z)-1-(4-tert-butyl-2-methylphenyl)-2-ethylidenepyrrolidine?
(2Z)-1-(4-tert-butyl-2-methylphenyl)-2-ethylidenepyrrolidine has a molecular weight of 243.39 g/mol, XLogP of 4.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-1-(4-tert-butyl-2-methylphenyl)-2-ethylidenepyrrolidine is sourced from PubChem (CID 138463455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).