1-[5-[[5-(3,4-dihydro-2H-pyrrol-5-ylmethylidene)-3,4-dihydropyrrol-2-yl]methylidene]-3,4-dihydropyrrol-2-yl]but-1-en-2-amine

C18H24N4 — CID 175880911

IUPAC1-[5-[[5-(3,4-dihydro-2H-pyrrol-5-ylmethylidene)-3,4-dihydropyrrol-2-yl]methylidene]-3,4-dihydropyrrol-2-yl]but-1-en-2-amine
SMILESCCC(N)=CC1=NC(=CC2=NC(=CC3=NCCC3)CC2)CC1
InChIInChI=1S/C18H24N4/c1-2-13(19)10-15-5-6-17(21-15)12-18-8-7-16(22-18)11-14-4-3-9-20-14/h10-12H,2-9,19H2,1H3
InChIKeyDVTMAONSIJEZPF-UHFFFAOYSA-N
MW296.42 g/mol
LogP3.71
Rot. Bonds4

About 1-[5-[[5-(3,4-dihydro-2H-pyrrol-5-ylmethylidene)-3,4-dihydropyrrol-2-yl]methylidene]-3,4-dihydropyrrol-2-yl]but-1-en-2-amine

1-[5-[[5-(3,4-dihydro-2H-pyrrol-5-ylmethylidene)-3,4-dihydropyrrol-2-yl]methylidene]-3,4-dihydropyrrol-2-yl]but-1-en-2-amine (PubChem CID 175880911) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is 1-[5-[[5-(3,4-dihydro-2H-pyrrol-5-ylmethylidene)-3,4-dihydropyrrol-2-yl]methylidene]-3,4-dihydropyrrol-2-yl]but-1-en-2-amine.

Molecular Properties

Compound Name1-[5-[[5-(3,4-dihydro-2H-pyrrol-5-ylmethylidene)-3,4-dihydropyrrol-2-yl]methylidene]-3,4-dihydropyrrol-2-yl]but-1-en-2-amine
PubChem CID175880911
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC Name1-[5-[[5-(3,4-dihydro-2H-pyrrol-5-ylmethylidene)-3,4-dihydropyrrol-2-yl]methylidene]-3,4-dihydropyrrol-2-yl]but-1-en-2-amine
SMILESCCC(N)=CC1=NC(=CC2=NC(=CC3=NCCC3)CC2)CC1
InChIInChI=1S/C18H24N4/c1-2-13(19)10-15-5-6-17(21-15)12-18-8-7-16(22-18)11-14-4-3-9-20-14/h10-12H,2-9,19H2,1H3
InChIKeyDVTMAONSIJEZPF-UHFFFAOYSA-N
XLogP3.71
TPSA63.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[5-[[5-(3,4-dihydro-2H-pyrrol-5-ylmethylidene)-3,4-dihydropyrrol-2-yl]methylidene]-3,4-dihydropyrrol-2-yl]but-1-en-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[[5-(3,4-dihydro-2H-pyrrol-5-ylmethylidene)-3,4-dihydropyrrol-2-yl]methylidene]-3,4-dihydropyrrol-2-yl]but-1-en-2-amine?
The IUPAC name of 1-[5-[[5-(3,4-dihydro-2H-pyrrol-5-ylmethylidene)-3,4-dihydropyrrol-2-yl]methylidene]-3,4-dihydropyrrol-2-yl]but-1-en-2-amine (CID 175880911) is 1-[5-[[5-(3,4-dihydro-2H-pyrrol-5-ylmethylidene)-3,4-dihydropyrrol-2-yl]methylidene]-3,4-dihydropyrrol-2-yl]but-1-en-2-amine.
What is the SMILES notation for 1-[5-[[5-(3,4-dihydro-2H-pyrrol-5-ylmethylidene)-3,4-dihydropyrrol-2-yl]methylidene]-3,4-dihydropyrrol-2-yl]but-1-en-2-amine?
The canonical SMILES for 1-[5-[[5-(3,4-dihydro-2H-pyrrol-5-ylmethylidene)-3,4-dihydropyrrol-2-yl]methylidene]-3,4-dihydropyrrol-2-yl]but-1-en-2-amine is CCC(N)=CC1=NC(=CC2=NC(=CC3=NCCC3)CC2)CC1.
What is the InChIKey of 1-[5-[[5-(3,4-dihydro-2H-pyrrol-5-ylmethylidene)-3,4-dihydropyrrol-2-yl]methylidene]-3,4-dihydropyrrol-2-yl]but-1-en-2-amine?
The InChIKey is DVTMAONSIJEZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4/c1-2-13(19)10-15-5-6-17(21-15)12-18-8-7-16(22-18)11-14-4-3-9-20-14/h10-12H,2-9,19H2,1H3.
What are the key properties of 1-[5-[[5-(3,4-dihydro-2H-pyrrol-5-ylmethylidene)-3,4-dihydropyrrol-2-yl]methylidene]-3,4-dihydropyrrol-2-yl]but-1-en-2-amine?
1-[5-[[5-(3,4-dihydro-2H-pyrrol-5-ylmethylidene)-3,4-dihydropyrrol-2-yl]methylidene]-3,4-dihydropyrrol-2-yl]but-1-en-2-amine has a molecular weight of 296.42 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[[5-(3,4-dihydro-2H-pyrrol-5-ylmethylidene)-3,4-dihydropyrrol-2-yl]methylidene]-3,4-dihydropyrrol-2-yl]but-1-en-2-amine is sourced from PubChem (CID 175880911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).