5-(azepane-1-carbonyl)-1-propyl-3H-indol-2-one

C18H24N2O2 — CID 53014656

IUPAC5-(azepane-1-carbonyl)-1-propyl-3H-indol-2-one
SMILESCCCN1C(=O)Cc2cc(C(=O)N3CCCCCC3)ccc21
InChIInChI=1S/C18H24N2O2/c1-2-9-20-16-8-7-14(12-15(16)13-17(20)21)18(22)19-10-5-3-4-6-11-19/h7-8,12H,2-6,9-11,13H2,1H3
InChIKeyYIIJCSCGXKFCJK-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.00
Rot. Bonds3

About 5-(azepane-1-carbonyl)-1-propyl-3H-indol-2-one

5-(azepane-1-carbonyl)-1-propyl-3H-indol-2-one (PubChem CID 53014656) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 5-(azepane-1-carbonyl)-1-propyl-3H-indol-2-one.

Molecular Properties

Compound Name5-(azepane-1-carbonyl)-1-propyl-3H-indol-2-one
PubChem CID53014656
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name5-(azepane-1-carbonyl)-1-propyl-3H-indol-2-one
SMILESCCCN1C(=O)Cc2cc(C(=O)N3CCCCCC3)ccc21
InChIInChI=1S/C18H24N2O2/c1-2-9-20-16-8-7-14(12-15(16)13-17(20)21)18(22)19-10-5-3-4-6-11-19/h7-8,12H,2-6,9-11,13H2,1H3
InChIKeyYIIJCSCGXKFCJK-UHFFFAOYSA-N
XLogP3.00
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-5-(3-methylpiperidine-1-carbonyl)-3H-indol-2-one
CID 53014651
1-methyl-5-(4-pentanoyl-1,4-diazepane-1-carbonyl)-3H-indol-2-one
CID 110806698
1-methyl-6-(piperidine-1-carbonyl)-3,4-dihydroquinolin-2-one
CID 52986183
1-benzyl-6-(piperidine-1-carbonyl)-3,4-dihydroquinolin-2-one
CID 53135752
5-(4-hydroxypiperidine-1-carbonyl)-1-methyl-3H-indol-2-one
CID 96669462
4-(1-methyl-2-oxo-3H-indole-5-carbonyl)-N-propan-2-yl-1,4-diazepane-1-carboxamide
CID 110813511
1-(4-aminobutyl)-5-propanoyl-3H-indol-2-one
CID 84758277
1-(3-methoxypropyl)-2-oxo-3H-indole-5-carboxylic acid
CID 102711072
1-methyl-5-(4-methylsulfonylpiperazine-1-carbonyl)-3H-indol-2-one
CID 110804490
2-oxo-1-(2-propan-2-yloxyethyl)-3H-indole-5-carboxylic acid
CID 102711222
5-amino-1-decyl-3H-indol-2-one
CID 62221874
5-amino-1-nonyl-3H-indol-2-one
CID 43446434

Frequently Asked Questions

What is the IUPAC name of 5-(azepane-1-carbonyl)-1-propyl-3H-indol-2-one?
The IUPAC name of 5-(azepane-1-carbonyl)-1-propyl-3H-indol-2-one (CID 53014656) is 5-(azepane-1-carbonyl)-1-propyl-3H-indol-2-one.
What is the SMILES notation for 5-(azepane-1-carbonyl)-1-propyl-3H-indol-2-one?
The canonical SMILES for 5-(azepane-1-carbonyl)-1-propyl-3H-indol-2-one is CCCN1C(=O)Cc2cc(C(=O)N3CCCCCC3)ccc21.
What is the InChIKey of 5-(azepane-1-carbonyl)-1-propyl-3H-indol-2-one?
The InChIKey is YIIJCSCGXKFCJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-2-9-20-16-8-7-14(12-15(16)13-17(20)21)18(22)19-10-5-3-4-6-11-19/h7-8,12H,2-6,9-11,13H2,1H3.
What are the key properties of 5-(azepane-1-carbonyl)-1-propyl-3H-indol-2-one?
5-(azepane-1-carbonyl)-1-propyl-3H-indol-2-one has a molecular weight of 300.40 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azepane-1-carbonyl)-1-propyl-3H-indol-2-one is sourced from PubChem (CID 53014656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).