1-methyl-4-(5-methylidene-1-propan-2-yl-2H-pyrrol-3-yl)piperazine

C13H23N3 — CID 58337005

IUPAC1-methyl-4-(5-methylidene-1-propan-2-yl-2H-pyrrol-3-yl)piperazine
SMILESC=C1C=C(N2CCN(C)CC2)CN1C(C)C
InChIInChI=1S/C13H23N3/c1-11(2)16-10-13(9-12(16)3)15-7-5-14(4)6-8-15/h9,11H,3,5-8,10H2,1-2,4H3
InChIKeyDLNUYBGTGZYNSK-UHFFFAOYSA-N
MW221.35 g/mol
LogP1.36
Rot. Bonds2

About 1-methyl-4-(5-methylidene-1-propan-2-yl-2H-pyrrol-3-yl)piperazine

1-methyl-4-(5-methylidene-1-propan-2-yl-2H-pyrrol-3-yl)piperazine (PubChem CID 58337005) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 1-methyl-4-(5-methylidene-1-propan-2-yl-2H-pyrrol-3-yl)piperazine.

Molecular Properties

Compound Name1-methyl-4-(5-methylidene-1-propan-2-yl-2H-pyrrol-3-yl)piperazine
PubChem CID58337005
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name1-methyl-4-(5-methylidene-1-propan-2-yl-2H-pyrrol-3-yl)piperazine
SMILESC=C1C=C(N2CCN(C)CC2)CN1C(C)C
InChIInChI=1S/C13H23N3/c1-11(2)16-10-13(9-12(16)3)15-7-5-14(4)6-8-15/h9,11H,3,5-8,10H2,1-2,4H3
InChIKeyDLNUYBGTGZYNSK-UHFFFAOYSA-N
XLogP1.36
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(5-methylidene-1-propan-2-yl-2H-pyrrol-3-yl)piperazine?
The IUPAC name of 1-methyl-4-(5-methylidene-1-propan-2-yl-2H-pyrrol-3-yl)piperazine (CID 58337005) is 1-methyl-4-(5-methylidene-1-propan-2-yl-2H-pyrrol-3-yl)piperazine.
What is the SMILES notation for 1-methyl-4-(5-methylidene-1-propan-2-yl-2H-pyrrol-3-yl)piperazine?
The canonical SMILES for 1-methyl-4-(5-methylidene-1-propan-2-yl-2H-pyrrol-3-yl)piperazine is C=C1C=C(N2CCN(C)CC2)CN1C(C)C.
What is the InChIKey of 1-methyl-4-(5-methylidene-1-propan-2-yl-2H-pyrrol-3-yl)piperazine?
The InChIKey is DLNUYBGTGZYNSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-11(2)16-10-13(9-12(16)3)15-7-5-14(4)6-8-15/h9,11H,3,5-8,10H2,1-2,4H3.
What are the key properties of 1-methyl-4-(5-methylidene-1-propan-2-yl-2H-pyrrol-3-yl)piperazine?
1-methyl-4-(5-methylidene-1-propan-2-yl-2H-pyrrol-3-yl)piperazine has a molecular weight of 221.35 g/mol, XLogP of 1.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(5-methylidene-1-propan-2-yl-2H-pyrrol-3-yl)piperazine is sourced from PubChem (CID 58337005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).