acenaphthyleno[2,1-b]pyrrol-8-one

C14H7NO — CID 67437408

IUPACacenaphthyleno[2,1-b]pyrrol-8-one
SMILESO=C1C=C2C(=N1)c1cccc3cccc2c13
InChIInChI=1S/C14H7NO/c16-12-7-11-9-5-1-3-8-4-2-6-10(13(8)9)14(11)15-12/h1-7H
InChIKeyUTZLITLAKQUPAQ-UHFFFAOYSA-N
MW205.22 g/mol
LogP2.57
Rot. Bonds

About acenaphthyleno[2,1-b]pyrrol-8-one

acenaphthyleno[2,1-b]pyrrol-8-one (PubChem CID 67437408) has the molecular formula C14H7NO and a molecular weight of 205.22 g/mol. Its IUPAC name is acenaphthyleno[2,1-b]pyrrol-8-one.

Molecular Properties

Compound Nameacenaphthyleno[2,1-b]pyrrol-8-one
PubChem CID67437408
Molecular FormulaC14H7NO
Molecular Weight205.22 g/mol
Exact Mass205.05
IUPAC Nameacenaphthyleno[2,1-b]pyrrol-8-one
SMILESO=C1C=C2C(=N1)c1cccc3cccc2c13
InChIInChI=1S/C14H7NO/c16-12-7-11-9-5-1-3-8-4-2-6-10(13(8)9)14(11)15-12/h1-7H
InChIKeyUTZLITLAKQUPAQ-UHFFFAOYSA-N
XLogP2.57
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

8-oxo-8H-acenaphtho[1,2-b]pyrrole-9-carbonitrile
CID 54582410
8h-Acenaphtho[1,2-b]pyrrole
CID 129849054
Benzoindeno-quinolinone
CID 129871885
Acenaphtho[1,2-d]imidazole-8-thione
CID 162368599
8-methylacenaphtho[1,2-c]pyridazin-9(8H)-one
CID 14688907
8-Oxo-8H-acenaphtho[1,2-b]pyrrole-9-carboxylic acid
CID 45121077
9-Isocyanoacenaphthyleno[2,1-b]pyrrol-8-one
CID 58480418
indol-2-one;1H-phenalene
CID 67394127
3-Ethyl-8-oxoacenaphthyleno[1,2-b]pyrrole-9-carbonitrile
CID 70886518
4-[(4-Butan-2-ylphenyl)methyl]-8-oxoacenaphthyleno[2,1-b]pyrrole-9-carbonitrile
CID 89556623
8-Oxo-3-[(4-propan-2-ylphenyl)methyl]acenaphthyleno[1,2-b]pyrrole-9-carbonitrile
CID 89567931
Benzo[g]indol-2-one
CID 140590843

Frequently Asked Questions

What is the IUPAC name of acenaphthyleno[2,1-b]pyrrol-8-one?
The IUPAC name of acenaphthyleno[2,1-b]pyrrol-8-one (CID 67437408) is acenaphthyleno[2,1-b]pyrrol-8-one.
What is the SMILES notation for acenaphthyleno[2,1-b]pyrrol-8-one?
The canonical SMILES for acenaphthyleno[2,1-b]pyrrol-8-one is O=C1C=C2C(=N1)c1cccc3cccc2c13.
What is the InChIKey of acenaphthyleno[2,1-b]pyrrol-8-one?
The InChIKey is UTZLITLAKQUPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7NO/c16-12-7-11-9-5-1-3-8-4-2-6-10(13(8)9)14(11)15-12/h1-7H.
What are the key properties of acenaphthyleno[2,1-b]pyrrol-8-one?
acenaphthyleno[2,1-b]pyrrol-8-one has a molecular weight of 205.22 g/mol, XLogP of 2.57, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acenaphthyleno[2,1-b]pyrrol-8-one is sourced from PubChem (CID 67437408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).