4-(2,3-dihydro-1H-indole-2-carbonyl)morpholine-2-carbonitrile

C14H15N3O2 — CID 80567408

IUPAC4-(2,3-dihydro-1H-indole-2-carbonyl)morpholine-2-carbonitrile
SMILESN#CC1CN(C(=O)C2Cc3ccccc3N2)CCO1
InChIInChI=1S/C14H15N3O2/c15-8-11-9-17(5-6-19-11)14(18)13-7-10-3-1-2-4-12(10)16-13/h1-4,11,13,16H,5-7,9H2
InChIKeyXPBXWJXBTPJVFR-UHFFFAOYSA-N
MW257.29 g/mol
LogP0.77
Rot. Bonds1

About 4-(2,3-dihydro-1H-indole-2-carbonyl)morpholine-2-carbonitrile

4-(2,3-dihydro-1H-indole-2-carbonyl)morpholine-2-carbonitrile (PubChem CID 80567408) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-indole-2-carbonyl)morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-indole-2-carbonyl)morpholine-2-carbonitrile
PubChem CID80567408
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name4-(2,3-dihydro-1H-indole-2-carbonyl)morpholine-2-carbonitrile
SMILESN#CC1CN(C(=O)C2Cc3ccccc3N2)CCO1
InChIInChI=1S/C14H15N3O2/c15-8-11-9-17(5-6-19-11)14(18)13-7-10-3-1-2-4-12(10)16-13/h1-4,11,13,16H,5-7,9H2
InChIKeyXPBXWJXBTPJVFR-UHFFFAOYSA-N
XLogP0.77
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-indole-2-carbonyl)morpholine-2-carbonitrile?
The IUPAC name of 4-(2,3-dihydro-1H-indole-2-carbonyl)morpholine-2-carbonitrile (CID 80567408) is 4-(2,3-dihydro-1H-indole-2-carbonyl)morpholine-2-carbonitrile.
What is the SMILES notation for 4-(2,3-dihydro-1H-indole-2-carbonyl)morpholine-2-carbonitrile?
The canonical SMILES for 4-(2,3-dihydro-1H-indole-2-carbonyl)morpholine-2-carbonitrile is N#CC1CN(C(=O)C2Cc3ccccc3N2)CCO1.
What is the InChIKey of 4-(2,3-dihydro-1H-indole-2-carbonyl)morpholine-2-carbonitrile?
The InChIKey is XPBXWJXBTPJVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c15-8-11-9-17(5-6-19-11)14(18)13-7-10-3-1-2-4-12(10)16-13/h1-4,11,13,16H,5-7,9H2.
What are the key properties of 4-(2,3-dihydro-1H-indole-2-carbonyl)morpholine-2-carbonitrile?
4-(2,3-dihydro-1H-indole-2-carbonyl)morpholine-2-carbonitrile has a molecular weight of 257.29 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-indole-2-carbonyl)morpholine-2-carbonitrile is sourced from PubChem (CID 80567408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).