4-(5-amino-1H-indole-2-carbonyl)morpholine-2-carbonitrile

C14H14N4O2 — CID 79674248

IUPAC4-(5-amino-1H-indole-2-carbonyl)morpholine-2-carbonitrile
SMILESN#CC1CN(C(=O)c2cc3cc(N)ccc3[nH]2)CCO1
InChIInChI=1S/C14H14N4O2/c15-7-11-8-18(3-4-20-11)14(19)13-6-9-5-10(16)1-2-12(9)17-13/h1-2,5-6,11,17H,3-4,8,16H2
InChIKeyKEWJTSYTWVRVBH-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.11
Rot. Bonds1

About 4-(5-amino-1H-indole-2-carbonyl)morpholine-2-carbonitrile

4-(5-amino-1H-indole-2-carbonyl)morpholine-2-carbonitrile (PubChem CID 79674248) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 4-(5-amino-1H-indole-2-carbonyl)morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-(5-amino-1H-indole-2-carbonyl)morpholine-2-carbonitrile
PubChem CID79674248
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name4-(5-amino-1H-indole-2-carbonyl)morpholine-2-carbonitrile
SMILESN#CC1CN(C(=O)c2cc3cc(N)ccc3[nH]2)CCO1
InChIInChI=1S/C14H14N4O2/c15-7-11-8-18(3-4-20-11)14(19)13-6-9-5-10(16)1-2-12(9)17-13/h1-2,5-6,11,17H,3-4,8,16H2
InChIKeyKEWJTSYTWVRVBH-UHFFFAOYSA-N
XLogP1.11
TPSA95.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(6-amino-1H-indole-3-carbonyl)morpholine-2-carbonitrile
CID 79664535
4-(4-amino-2-methylbenzoyl)morpholine-2-carbonitrile
CID 79664102
(5-amino-1H-indol-2-yl)-(4-methylpiperidin-1-yl)methanone
CID 62057750
4-(3-aminonaphthalene-2-carbonyl)morpholine-2-carbonitrile
CID 79670203
(5-bromo-1H-indol-2-yl)-[(2R)-2-methylmorpholin-4-yl]methanone
CID 30787030
(5-amino-1H-indol-2-yl)-(3-ethylpiperidin-1-yl)methanone
CID 62057298
4-(2-aminopyridine-4-carbonyl)morpholine-2-carbonitrile
CID 79676652
4-(6-aminopyridine-2-carbonyl)morpholine-2-carbonitrile
CID 79675623
4-(3,5-dimethylbenzoyl)morpholine-2-carbonitrile
CID 78945545
(5-amino-1H-indol-2-yl)-(1,3-dihydroisoindol-2-yl)methanone
CID 63118310
4-(1H-indole-7-carbonyl)morpholine-2-carbonitrile
CID 79035947
2-[4-(5-fluoro-1H-indole-2-carbonyl)morpholin-2-yl]acetic acid
CID 119248354

Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-1H-indole-2-carbonyl)morpholine-2-carbonitrile?
The IUPAC name of 4-(5-amino-1H-indole-2-carbonyl)morpholine-2-carbonitrile (CID 79674248) is 4-(5-amino-1H-indole-2-carbonyl)morpholine-2-carbonitrile.
What is the SMILES notation for 4-(5-amino-1H-indole-2-carbonyl)morpholine-2-carbonitrile?
The canonical SMILES for 4-(5-amino-1H-indole-2-carbonyl)morpholine-2-carbonitrile is N#CC1CN(C(=O)c2cc3cc(N)ccc3[nH]2)CCO1.
What is the InChIKey of 4-(5-amino-1H-indole-2-carbonyl)morpholine-2-carbonitrile?
The InChIKey is KEWJTSYTWVRVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c15-7-11-8-18(3-4-20-11)14(19)13-6-9-5-10(16)1-2-12(9)17-13/h1-2,5-6,11,17H,3-4,8,16H2.
What are the key properties of 4-(5-amino-1H-indole-2-carbonyl)morpholine-2-carbonitrile?
4-(5-amino-1H-indole-2-carbonyl)morpholine-2-carbonitrile has a molecular weight of 270.29 g/mol, XLogP of 1.11, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-1H-indole-2-carbonyl)morpholine-2-carbonitrile is sourced from PubChem (CID 79674248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).