5-[(Z)-[(5Z)-5-[[5-[(Z)-(5-oxopyrrol-2-ylidene)methyl]-1H-pyrrol-2-yl]methylidene]pyrrol-2-ylidene]methyl]pyrrol-2-one

C19H14N4O2 — CID 135011510

IUPAC5-[(Z)-[(5Z)-5-[[5-[(Z)-(5-oxopyrrol-2-ylidene)methyl]-1H-pyrrol-2-yl]methylidene]pyrrol-2-ylidene]methyl]pyrrol-2-one
SMILESO=C1C=CC(/C=c2/cc/c(=C/c3ccc(/C=C4/C=CC(=O)N4)[nH]3)[nH]2)=N1
InChIInChI=1S/C19H14N4O2/c24-18-7-5-16(22-18)10-14-3-1-12(20-14)9-13-2-4-15(21-13)11-17-6-8-19(25)23-17/h1-11,20-21H,(H,22,24)/b13-9-,15-11-,16-10-
InChIKeyMQHWQQCOXHUNCS-SOYWQFICSA-N
MW330.35 g/mol
LogP0.52
Rot. Bonds3

About 5-[(Z)-[(5Z)-5-[[5-[(Z)-(5-oxopyrrol-2-ylidene)methyl]-1H-pyrrol-2-yl]methylidene]pyrrol-2-ylidene]methyl]pyrrol-2-one

5-[(Z)-[(5Z)-5-[[5-[(Z)-(5-oxopyrrol-2-ylidene)methyl]-1H-pyrrol-2-yl]methylidene]pyrrol-2-ylidene]methyl]pyrrol-2-one (PubChem CID 135011510) has the molecular formula C19H14N4O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is 5-[(Z)-[(5Z)-5-[[5-[(Z)-(5-oxopyrrol-2-ylidene)methyl]-1H-pyrrol-2-yl]methylidene]pyrrol-2-ylidene]methyl]pyrrol-2-one.

Molecular Properties

Compound Name5-[(Z)-[(5Z)-5-[[5-[(Z)-(5-oxopyrrol-2-ylidene)methyl]-1H-pyrrol-2-yl]methylidene]pyrrol-2-ylidene]methyl]pyrrol-2-one
PubChem CID135011510
Molecular FormulaC19H14N4O2
Molecular Weight330.35 g/mol
Exact Mass330.11
IUPAC Name5-[(Z)-[(5Z)-5-[[5-[(Z)-(5-oxopyrrol-2-ylidene)methyl]-1H-pyrrol-2-yl]methylidene]pyrrol-2-ylidene]methyl]pyrrol-2-one
SMILESO=C1C=CC(/C=c2/cc/c(=C/c3ccc(/C=C4/C=CC(=O)N4)[nH]3)[nH]2)=N1
InChIInChI=1S/C19H14N4O2/c24-18-7-5-16(22-18)10-14-3-1-12(20-14)9-13-2-4-15(21-13)11-17-6-8-19(25)23-17/h1-11,20-21H,(H,22,24)/b13-9-,15-11-,16-10-
InChIKeyMQHWQQCOXHUNCS-SOYWQFICSA-N
XLogP0.52
TPSA90.11 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-[(5Z)-5-[[5-[(Z)-(5-oxopyrrol-2-ylidene)methyl]-1H-pyrrol-2-yl]methylidene]pyrrol-2-ylidene]methyl]pyrrol-2-one?
The IUPAC name of 5-[(Z)-[(5Z)-5-[[5-[(Z)-(5-oxopyrrol-2-ylidene)methyl]-1H-pyrrol-2-yl]methylidene]pyrrol-2-ylidene]methyl]pyrrol-2-one (CID 135011510) is 5-[(Z)-[(5Z)-5-[[5-[(Z)-(5-oxopyrrol-2-ylidene)methyl]-1H-pyrrol-2-yl]methylidene]pyrrol-2-ylidene]methyl]pyrrol-2-one.
What is the SMILES notation for 5-[(Z)-[(5Z)-5-[[5-[(Z)-(5-oxopyrrol-2-ylidene)methyl]-1H-pyrrol-2-yl]methylidene]pyrrol-2-ylidene]methyl]pyrrol-2-one?
The canonical SMILES for 5-[(Z)-[(5Z)-5-[[5-[(Z)-(5-oxopyrrol-2-ylidene)methyl]-1H-pyrrol-2-yl]methylidene]pyrrol-2-ylidene]methyl]pyrrol-2-one is O=C1C=CC(/C=c2/cc/c(=C/c3ccc(/C=C4/C=CC(=O)N4)[nH]3)[nH]2)=N1.
What is the InChIKey of 5-[(Z)-[(5Z)-5-[[5-[(Z)-(5-oxopyrrol-2-ylidene)methyl]-1H-pyrrol-2-yl]methylidene]pyrrol-2-ylidene]methyl]pyrrol-2-one?
The InChIKey is MQHWQQCOXHUNCS-SOYWQFICSA-N. The full InChI is InChI=1S/C19H14N4O2/c24-18-7-5-16(22-18)10-14-3-1-12(20-14)9-13-2-4-15(21-13)11-17-6-8-19(25)23-17/h1-11,20-21H,(H,22,24)/b13-9-,15-11-,16-10-.
What are the key properties of 5-[(Z)-[(5Z)-5-[[5-[(Z)-(5-oxopyrrol-2-ylidene)methyl]-1H-pyrrol-2-yl]methylidene]pyrrol-2-ylidene]methyl]pyrrol-2-one?
5-[(Z)-[(5Z)-5-[[5-[(Z)-(5-oxopyrrol-2-ylidene)methyl]-1H-pyrrol-2-yl]methylidene]pyrrol-2-ylidene]methyl]pyrrol-2-one has a molecular weight of 330.35 g/mol, XLogP of 0.52, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-[(5Z)-5-[[5-[(Z)-(5-oxopyrrol-2-ylidene)methyl]-1H-pyrrol-2-yl]methylidene]pyrrol-2-ylidene]methyl]pyrrol-2-one is sourced from PubChem (CID 135011510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).