1-(5-amino-2-oxo-3H-indole-1-carbonyl)cyclobutane-1-carbonitrile

C14H13N3O2 — CID 115183201

IUPAC1-(5-amino-2-oxo-3H-indole-1-carbonyl)cyclobutane-1-carbonitrile
SMILESN#CC1(C(=O)N2C(=O)Cc3cc(N)ccc32)CCC1
InChIInChI=1S/C14H13N3O2/c15-8-14(4-1-5-14)13(19)17-11-3-2-10(16)6-9(11)7-12(17)18/h2-3,6H,1,4-5,7,16H2
InChIKeyGDRDSMREQCZAEC-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.38
Rot. Bonds1

About 1-(5-amino-2-oxo-3H-indole-1-carbonyl)cyclobutane-1-carbonitrile

1-(5-amino-2-oxo-3H-indole-1-carbonyl)cyclobutane-1-carbonitrile (PubChem CID 115183201) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 1-(5-amino-2-oxo-3H-indole-1-carbonyl)cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-(5-amino-2-oxo-3H-indole-1-carbonyl)cyclobutane-1-carbonitrile
PubChem CID115183201
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name1-(5-amino-2-oxo-3H-indole-1-carbonyl)cyclobutane-1-carbonitrile
SMILESN#CC1(C(=O)N2C(=O)Cc3cc(N)ccc32)CCC1
InChIInChI=1S/C14H13N3O2/c15-8-14(4-1-5-14)13(19)17-11-3-2-10(16)6-9(11)7-12(17)18/h2-3,6H,1,4-5,7,16H2
InChIKeyGDRDSMREQCZAEC-UHFFFAOYSA-N
XLogP1.38
TPSA87.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_K(2)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-acetyl-5-amino-3H-indol-2-one
CID 12046998
5-amino-1-(2-amino-3-hydroxypropanoyl)-3H-indol-2-one
CID 115179585
methyl 3-(5-amino-2-oxo-3H-indol-1-yl)-3-oxopropanoate
CID 115174118
5-amino-1-(3-oxobutyl)-3H-indol-2-one
CID 115235380
2-(5-amino-2-oxo-3H-indol-1-yl)-N-(cyanomethyl)acetamide
CID 43382542
5-(methylamino)-2-oxo-3H-indole-1-carbonyl cyanide
CID 115172000
3-(5-amino-2-oxo-3H-indol-1-yl)-2,2-dimethylpropanenitrile
CID 115233774
5-amino-1-cyclopropyl-3H-indol-2-one;iron
CID 159753401
5-amino-1-(sulfanylmethyl)-3H-indol-2-one
CID 115227602
5-amino-1-(4-oxocyclohexyl)-3H-indol-2-one
CID 117039664
4-(5-amino-2-oxo-3H-indol-1-yl)-N-methylbutanamide
CID 63892495
5-amino-1-(4-oxopentyl)-3H-indol-2-one
CID 115236208

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-2-oxo-3H-indole-1-carbonyl)cyclobutane-1-carbonitrile?
The IUPAC name of 1-(5-amino-2-oxo-3H-indole-1-carbonyl)cyclobutane-1-carbonitrile (CID 115183201) is 1-(5-amino-2-oxo-3H-indole-1-carbonyl)cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-(5-amino-2-oxo-3H-indole-1-carbonyl)cyclobutane-1-carbonitrile?
The canonical SMILES for 1-(5-amino-2-oxo-3H-indole-1-carbonyl)cyclobutane-1-carbonitrile is N#CC1(C(=O)N2C(=O)Cc3cc(N)ccc32)CCC1.
What is the InChIKey of 1-(5-amino-2-oxo-3H-indole-1-carbonyl)cyclobutane-1-carbonitrile?
The InChIKey is GDRDSMREQCZAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c15-8-14(4-1-5-14)13(19)17-11-3-2-10(16)6-9(11)7-12(17)18/h2-3,6H,1,4-5,7,16H2.
What are the key properties of 1-(5-amino-2-oxo-3H-indole-1-carbonyl)cyclobutane-1-carbonitrile?
1-(5-amino-2-oxo-3H-indole-1-carbonyl)cyclobutane-1-carbonitrile has a molecular weight of 255.28 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-2-oxo-3H-indole-1-carbonyl)cyclobutane-1-carbonitrile is sourced from PubChem (CID 115183201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).