5-[(3,4-dimethyl-1,3-dihydropyrrol-2-ylidene)methyl]-4-ethyl-2,3-dimethyl-2H-pyrrole

C15H22N2 — CID 131859475

IUPAC5-[(3,4-dimethyl-1,3-dihydropyrrol-2-ylidene)methyl]-4-ethyl-2,3-dimethyl-2H-pyrrole
SMILESCCC1=C(C)C(C)N=C1C=C1NC=C(C)C1C
InChIInChI=1S/C15H22N2/c1-6-13-11(4)12(5)17-15(13)7-14-10(3)9(2)8-16-14/h7-8,10,12,16H,6H2,1-5H3
InChIKeySLNGGXZHXIQNKJ-UHFFFAOYSA-N
MW230.35 g/mol
LogP3.58
Rot. Bonds2

About 5-[(3,4-dimethyl-1,3-dihydropyrrol-2-ylidene)methyl]-4-ethyl-2,3-dimethyl-2H-pyrrole

5-[(3,4-dimethyl-1,3-dihydropyrrol-2-ylidene)methyl]-4-ethyl-2,3-dimethyl-2H-pyrrole (PubChem CID 131859475) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 5-[(3,4-dimethyl-1,3-dihydropyrrol-2-ylidene)methyl]-4-ethyl-2,3-dimethyl-2H-pyrrole.

Molecular Properties

Compound Name5-[(3,4-dimethyl-1,3-dihydropyrrol-2-ylidene)methyl]-4-ethyl-2,3-dimethyl-2H-pyrrole
PubChem CID131859475
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name5-[(3,4-dimethyl-1,3-dihydropyrrol-2-ylidene)methyl]-4-ethyl-2,3-dimethyl-2H-pyrrole
SMILESCCC1=C(C)C(C)N=C1C=C1NC=C(C)C1C
InChIInChI=1S/C15H22N2/c1-6-13-11(4)12(5)17-15(13)7-14-10(3)9(2)8-16-14/h7-8,10,12,16H,6H2,1-5H3
InChIKeySLNGGXZHXIQNKJ-UHFFFAOYSA-N
XLogP3.58
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-dimethyl-1,3-dihydropyrrol-2-ylidene)methyl]-4-ethyl-2,3-dimethyl-2H-pyrrole?
The IUPAC name of 5-[(3,4-dimethyl-1,3-dihydropyrrol-2-ylidene)methyl]-4-ethyl-2,3-dimethyl-2H-pyrrole (CID 131859475) is 5-[(3,4-dimethyl-1,3-dihydropyrrol-2-ylidene)methyl]-4-ethyl-2,3-dimethyl-2H-pyrrole.
What is the SMILES notation for 5-[(3,4-dimethyl-1,3-dihydropyrrol-2-ylidene)methyl]-4-ethyl-2,3-dimethyl-2H-pyrrole?
The canonical SMILES for 5-[(3,4-dimethyl-1,3-dihydropyrrol-2-ylidene)methyl]-4-ethyl-2,3-dimethyl-2H-pyrrole is CCC1=C(C)C(C)N=C1C=C1NC=C(C)C1C.
What is the InChIKey of 5-[(3,4-dimethyl-1,3-dihydropyrrol-2-ylidene)methyl]-4-ethyl-2,3-dimethyl-2H-pyrrole?
The InChIKey is SLNGGXZHXIQNKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-6-13-11(4)12(5)17-15(13)7-14-10(3)9(2)8-16-14/h7-8,10,12,16H,6H2,1-5H3.
What are the key properties of 5-[(3,4-dimethyl-1,3-dihydropyrrol-2-ylidene)methyl]-4-ethyl-2,3-dimethyl-2H-pyrrole?
5-[(3,4-dimethyl-1,3-dihydropyrrol-2-ylidene)methyl]-4-ethyl-2,3-dimethyl-2H-pyrrole has a molecular weight of 230.35 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-dimethyl-1,3-dihydropyrrol-2-ylidene)methyl]-4-ethyl-2,3-dimethyl-2H-pyrrole is sourced from PubChem (CID 131859475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).