(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1-(pyrrolidin-1-ylmethyl)-2H-indole

C20H25N3 — CID 139974133

IUPAC(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1-(pyrrolidin-1-ylmethyl)-2H-indole
SMILESCc1cc(C)c(/C=C2\CN(CN3CCCC3)c3ccccc32)[nH]1
InChIInChI=1S/C20H25N3/c1-15-11-16(2)21-19(15)12-17-13-23(14-22-9-5-6-10-22)20-8-4-3-7-18(17)20/h3-4,7-8,11-12,21H,5-6,9-10,13-14H2,1-2H3/b17-12+
InChIKeyYHHUQWQQBHDGDY-SFQUDFHCSA-N
MW307.44 g/mol
LogP4.05
Rot. Bonds3

About (3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1-(pyrrolidin-1-ylmethyl)-2H-indole

(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1-(pyrrolidin-1-ylmethyl)-2H-indole (PubChem CID 139974133) has the molecular formula C20H25N3 and a molecular weight of 307.44 g/mol. Its IUPAC name is (3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1-(pyrrolidin-1-ylmethyl)-2H-indole.

Molecular Properties

Compound Name(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1-(pyrrolidin-1-ylmethyl)-2H-indole
PubChem CID139974133
Molecular FormulaC20H25N3
Molecular Weight307.44 g/mol
Exact Mass307.20
IUPAC Name(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1-(pyrrolidin-1-ylmethyl)-2H-indole
SMILESCc1cc(C)c(/C=C2\CN(CN3CCCC3)c3ccccc32)[nH]1
InChIInChI=1S/C20H25N3/c1-15-11-16(2)21-19(15)12-17-13-23(14-22-9-5-6-10-22)20-8-4-3-7-18(17)20/h3-4,7-8,11-12,21H,5-6,9-10,13-14H2,1-2H3/b17-12+
InChIKeyYHHUQWQQBHDGDY-SFQUDFHCSA-N
XLogP4.05
TPSA22.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1-(pyrrolidin-1-ylmethyl)-2H-indole?
The IUPAC name of (3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1-(pyrrolidin-1-ylmethyl)-2H-indole (CID 139974133) is (3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1-(pyrrolidin-1-ylmethyl)-2H-indole.
What is the SMILES notation for (3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1-(pyrrolidin-1-ylmethyl)-2H-indole?
The canonical SMILES for (3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1-(pyrrolidin-1-ylmethyl)-2H-indole is Cc1cc(C)c(/C=C2\CN(CN3CCCC3)c3ccccc32)[nH]1.
What is the InChIKey of (3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1-(pyrrolidin-1-ylmethyl)-2H-indole?
The InChIKey is YHHUQWQQBHDGDY-SFQUDFHCSA-N. The full InChI is InChI=1S/C20H25N3/c1-15-11-16(2)21-19(15)12-17-13-23(14-22-9-5-6-10-22)20-8-4-3-7-18(17)20/h3-4,7-8,11-12,21H,5-6,9-10,13-14H2,1-2H3/b17-12+.
What are the key properties of (3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1-(pyrrolidin-1-ylmethyl)-2H-indole?
(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1-(pyrrolidin-1-ylmethyl)-2H-indole has a molecular weight of 307.44 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1-(pyrrolidin-1-ylmethyl)-2H-indole is sourced from PubChem (CID 139974133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).