6-(1H-pyrrole-3-carbonyl)-1,6,10-triazabicyclo[11.4.0]heptadecan-11-one

C19H30N4O2 — CID 157020363

IUPAC6-(1H-pyrrole-3-carbonyl)-1,6,10-triazabicyclo[11.4.0]heptadecan-11-one
SMILESO=C1CC2CCCCN2CCCCN(C(=O)c2cc[nH]c2)CCCN1
InChIInChI=1S/C19H30N4O2/c24-18-14-17-6-1-2-10-22(17)11-3-4-12-23(13-5-8-21-18)19(25)16-7-9-20-15-16/h7,9,15,17,20H,1-6,8,10-14H2,(H,21,24)
InChIKeySKXKBBRHSJXOAE-UHFFFAOYSA-N
MW346.48 g/mol
LogP2.00
Rot. Bonds1

About 6-(1H-pyrrole-3-carbonyl)-1,6,10-triazabicyclo[11.4.0]heptadecan-11-one

6-(1H-pyrrole-3-carbonyl)-1,6,10-triazabicyclo[11.4.0]heptadecan-11-one (PubChem CID 157020363) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 6-(1H-pyrrole-3-carbonyl)-1,6,10-triazabicyclo[11.4.0]heptadecan-11-one.

Molecular Properties

Compound Name6-(1H-pyrrole-3-carbonyl)-1,6,10-triazabicyclo[11.4.0]heptadecan-11-one
PubChem CID157020363
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name6-(1H-pyrrole-3-carbonyl)-1,6,10-triazabicyclo[11.4.0]heptadecan-11-one
SMILESO=C1CC2CCCCN2CCCCN(C(=O)c2cc[nH]c2)CCCN1
InChIInChI=1S/C19H30N4O2/c24-18-14-17-6-1-2-10-22(17)11-3-4-12-23(13-5-8-21-18)19(25)16-7-9-20-15-16/h7,9,15,17,20H,1-6,8,10-14H2,(H,21,24)
InChIKeySKXKBBRHSJXOAE-UHFFFAOYSA-N
XLogP2.00
TPSA68.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-(1H-pyrrole-3-carbonyl)-1,6,10-triazabicyclo[11.4.0]heptadecan-11-one with MolForge

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Related Compounds

azepan-1-yl(1H-pyrrol-3-yl)methanone
CID 110691126
5-(1-methylimidazole-4-carbonyl)-1,5,10-triazabicyclo[11.4.0]heptadecan-11-one
CID 157018929
cycloheptyl-[4-(1H-pyrrole-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 137336165
3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-d][1,4]diazepin-2-one
CID 565959
6-[2-(4-fluorophenyl)-5-methyl-1H-imidazole-4-carbonyl]-1,6,10-triazabicyclo[11.4.0]heptadecan-11-one
CID 157014979
cyclobutyl-[4-(1H-pyrrole-3-carbonyl)piperazin-1-yl]methanone
CID 110803788
5-[3-(1-methylpyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl]-1,5,10-triazabicyclo[11.4.0]heptadecan-11-one
CID 157017032
1-(1H-pyrrole-3-carbonyl)piperidine-4-carboxylic acid
CID 82472992
5-(3-methylbutanoyl)-1,5,10-triazabicyclo[11.4.0]heptadecan-11-one
CID 157013855
6-[5-ethyl-4-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]-1,6,10-triazabicyclo[11.4.0]heptadecan-11-one
CID 157018108
5-(2-cyclopropylquinoline-4-carbonyl)-1,5,10-triazabicyclo[11.4.0]heptadecan-11-one
CID 157016747
5-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)-1,5,10-triazabicyclo[11.4.0]heptadecan-11-one
CID 157016289

Frequently Asked Questions

What is the IUPAC name of 6-(1H-pyrrole-3-carbonyl)-1,6,10-triazabicyclo[11.4.0]heptadecan-11-one?
The IUPAC name of 6-(1H-pyrrole-3-carbonyl)-1,6,10-triazabicyclo[11.4.0]heptadecan-11-one (CID 157020363) is 6-(1H-pyrrole-3-carbonyl)-1,6,10-triazabicyclo[11.4.0]heptadecan-11-one.
What is the SMILES notation for 6-(1H-pyrrole-3-carbonyl)-1,6,10-triazabicyclo[11.4.0]heptadecan-11-one?
The canonical SMILES for 6-(1H-pyrrole-3-carbonyl)-1,6,10-triazabicyclo[11.4.0]heptadecan-11-one is O=C1CC2CCCCN2CCCCN(C(=O)c2cc[nH]c2)CCCN1.
What is the InChIKey of 6-(1H-pyrrole-3-carbonyl)-1,6,10-triazabicyclo[11.4.0]heptadecan-11-one?
The InChIKey is SKXKBBRHSJXOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c24-18-14-17-6-1-2-10-22(17)11-3-4-12-23(13-5-8-21-18)19(25)16-7-9-20-15-16/h7,9,15,17,20H,1-6,8,10-14H2,(H,21,24).
What are the key properties of 6-(1H-pyrrole-3-carbonyl)-1,6,10-triazabicyclo[11.4.0]heptadecan-11-one?
6-(1H-pyrrole-3-carbonyl)-1,6,10-triazabicyclo[11.4.0]heptadecan-11-one has a molecular weight of 346.48 g/mol, XLogP of 2.00, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-pyrrole-3-carbonyl)-1,6,10-triazabicyclo[11.4.0]heptadecan-11-one is sourced from PubChem (CID 157020363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).