(5E)-3-butyl-1,2-dimethyl-5-[(Z)-4-methylpent-2-enylidene]pyrrolidine

C16H29N — CID 137427394

IUPAC(5E)-3-butyl-1,2-dimethyl-5-[(Z)-4-methylpent-2-enylidene]pyrrolidine
SMILESCCCCC1C/C(=C\C=C/C(C)C)N(C)C1C
InChIInChI=1S/C16H29N/c1-6-7-10-15-12-16(17(5)14(15)4)11-8-9-13(2)3/h8-9,11,13-15H,6-7,10,12H2,1-5H3/b9-8-,16-11+
InChIKeyWBDBJUYWDACRRS-RPKXPYLJSA-N
MW235.41 g/mol
LogP4.61
Rot. Bonds5

About (5E)-3-butyl-1,2-dimethyl-5-[(Z)-4-methylpent-2-enylidene]pyrrolidine

(5E)-3-butyl-1,2-dimethyl-5-[(Z)-4-methylpent-2-enylidene]pyrrolidine (PubChem CID 137427394) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is (5E)-3-butyl-1,2-dimethyl-5-[(Z)-4-methylpent-2-enylidene]pyrrolidine.

Molecular Properties

Compound Name(5E)-3-butyl-1,2-dimethyl-5-[(Z)-4-methylpent-2-enylidene]pyrrolidine
PubChem CID137427394
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC Name(5E)-3-butyl-1,2-dimethyl-5-[(Z)-4-methylpent-2-enylidene]pyrrolidine
SMILESCCCCC1C/C(=C\C=C/C(C)C)N(C)C1C
InChIInChI=1S/C16H29N/c1-6-7-10-15-12-16(17(5)14(15)4)11-8-9-13(2)3/h8-9,11,13-15H,6-7,10,12H2,1-5H3/b9-8-,16-11+
InChIKeyWBDBJUYWDACRRS-RPKXPYLJSA-N
XLogP4.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.41
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5E)-3-butyl-1,2-dimethyl-5-[(Z)-4-methylpent-2-enylidene]pyrrolidine?
The IUPAC name of (5E)-3-butyl-1,2-dimethyl-5-[(Z)-4-methylpent-2-enylidene]pyrrolidine (CID 137427394) is (5E)-3-butyl-1,2-dimethyl-5-[(Z)-4-methylpent-2-enylidene]pyrrolidine.
What is the SMILES notation for (5E)-3-butyl-1,2-dimethyl-5-[(Z)-4-methylpent-2-enylidene]pyrrolidine?
The canonical SMILES for (5E)-3-butyl-1,2-dimethyl-5-[(Z)-4-methylpent-2-enylidene]pyrrolidine is CCCCC1C/C(=C\C=C/C(C)C)N(C)C1C.
What is the InChIKey of (5E)-3-butyl-1,2-dimethyl-5-[(Z)-4-methylpent-2-enylidene]pyrrolidine?
The InChIKey is WBDBJUYWDACRRS-RPKXPYLJSA-N. The full InChI is InChI=1S/C16H29N/c1-6-7-10-15-12-16(17(5)14(15)4)11-8-9-13(2)3/h8-9,11,13-15H,6-7,10,12H2,1-5H3/b9-8-,16-11+.
What are the key properties of (5E)-3-butyl-1,2-dimethyl-5-[(Z)-4-methylpent-2-enylidene]pyrrolidine?
(5E)-3-butyl-1,2-dimethyl-5-[(Z)-4-methylpent-2-enylidene]pyrrolidine has a molecular weight of 235.41 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-butyl-1,2-dimethyl-5-[(Z)-4-methylpent-2-enylidene]pyrrolidine is sourced from PubChem (CID 137427394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).