4-(6-amino-1H-indole-3-carbonyl)morpholine-2-carbonitrile

C14H14N4O2 — CID 79664535

IUPAC4-(6-amino-1H-indole-3-carbonyl)morpholine-2-carbonitrile
SMILESN#CC1CN(C(=O)c2c[nH]c3cc(N)ccc23)CCO1
InChIInChI=1S/C14H14N4O2/c15-6-10-8-18(3-4-20-10)14(19)12-7-17-13-5-9(16)1-2-11(12)13/h1-2,5,7,10,17H,3-4,8,16H2
InChIKeyKHJKRRPNHOFVDK-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.11
Rot. Bonds1

About 4-(6-amino-1H-indole-3-carbonyl)morpholine-2-carbonitrile

4-(6-amino-1H-indole-3-carbonyl)morpholine-2-carbonitrile (PubChem CID 79664535) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 4-(6-amino-1H-indole-3-carbonyl)morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-(6-amino-1H-indole-3-carbonyl)morpholine-2-carbonitrile
PubChem CID79664535
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name4-(6-amino-1H-indole-3-carbonyl)morpholine-2-carbonitrile
SMILESN#CC1CN(C(=O)c2c[nH]c3cc(N)ccc23)CCO1
InChIInChI=1S/C14H14N4O2/c15-6-10-8-18(3-4-20-10)14(19)12-7-17-13-5-9(16)1-2-11(12)13/h1-2,5,7,10,17H,3-4,8,16H2
InChIKeyKHJKRRPNHOFVDK-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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Frequently Asked Questions

What is the IUPAC name of 4-(6-amino-1H-indole-3-carbonyl)morpholine-2-carbonitrile?
The IUPAC name of 4-(6-amino-1H-indole-3-carbonyl)morpholine-2-carbonitrile (CID 79664535) is 4-(6-amino-1H-indole-3-carbonyl)morpholine-2-carbonitrile.
What is the SMILES notation for 4-(6-amino-1H-indole-3-carbonyl)morpholine-2-carbonitrile?
The canonical SMILES for 4-(6-amino-1H-indole-3-carbonyl)morpholine-2-carbonitrile is N#CC1CN(C(=O)c2c[nH]c3cc(N)ccc23)CCO1.
What is the InChIKey of 4-(6-amino-1H-indole-3-carbonyl)morpholine-2-carbonitrile?
The InChIKey is KHJKRRPNHOFVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c15-6-10-8-18(3-4-20-10)14(19)12-7-17-13-5-9(16)1-2-11(12)13/h1-2,5,7,10,17H,3-4,8,16H2.
What are the key properties of 4-(6-amino-1H-indole-3-carbonyl)morpholine-2-carbonitrile?
4-(6-amino-1H-indole-3-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-(6-amino-1H-indole-3-carbonyl)morpholine-2-carbonitrile is sourced from PubChem (CID 79664535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).