4-(1H-indole-7-carbonyl)morpholine-2-carbonitrile

C14H13N3O2 — CID 79035947

IUPAC4-(1H-indole-7-carbonyl)morpholine-2-carbonitrile
SMILESN#CC1CN(C(=O)c2cccc3cc[nH]c23)CCO1
InChIInChI=1S/C14H13N3O2/c15-8-11-9-17(6-7-19-11)14(18)12-3-1-2-10-4-5-16-13(10)12/h1-5,11,16H,6-7,9H2
InChIKeyYXJPSUGMAVVFPN-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.53
Rot. Bonds1

About 4-(1H-indole-7-carbonyl)morpholine-2-carbonitrile

4-(1H-indole-7-carbonyl)morpholine-2-carbonitrile (PubChem CID 79035947) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 4-(1H-indole-7-carbonyl)morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-(1H-indole-7-carbonyl)morpholine-2-carbonitrile
PubChem CID79035947
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name4-(1H-indole-7-carbonyl)morpholine-2-carbonitrile
SMILESN#CC1CN(C(=O)c2cccc3cc[nH]c23)CCO1
InChIInChI=1S/C14H13N3O2/c15-8-11-9-17(6-7-19-11)14(18)12-3-1-2-10-4-5-16-13(10)12/h1-5,11,16H,6-7,9H2
InChIKeyYXJPSUGMAVVFPN-UHFFFAOYSA-N
XLogP1.53
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(hydroxymethyl)morpholin-4-yl]-(1H-indol-7-yl)methanone
CID 81208687
4-(3-aminonaphthalene-2-carbonyl)morpholine-2-carbonitrile
CID 79670203
4-(2,3-dichlorobenzoyl)morpholine-2-carbonitrile
CID 78945716
[(2R)-2-(3-hydroxyphenyl)morpholin-4-yl]-(1H-indol-7-yl)methanone
CID 97233500
(3,4-dihydroxypyrrolidin-1-yl)-(1H-indol-7-yl)methanone
CID 106671264
4-(3-fluoro-2-hydrazinylbenzoyl)morpholine-2-carbonitrile
CID 79675907
3,9-diazabicyclo[4.2.1]nonan-3-yl(1H-indol-7-yl)methanone
CID 115313973
4-(2-amino-3-nitrobenzoyl)morpholine-2-carbonitrile
CID 115678992
[(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-(1H-indol-7-yl)methanone
CID 129338842
1H-indol-7-yl-(2-methylthiomorpholin-4-yl)methanone
CID 113244798
4-(6-aminopyridine-2-carbonyl)morpholine-2-carbonitrile
CID 79675623
4-[2-(propan-2-ylamino)benzoyl]morpholine-2-carbonitrile
CID 79681452

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indole-7-carbonyl)morpholine-2-carbonitrile?
The IUPAC name of 4-(1H-indole-7-carbonyl)morpholine-2-carbonitrile (CID 79035947) is 4-(1H-indole-7-carbonyl)morpholine-2-carbonitrile.
What is the SMILES notation for 4-(1H-indole-7-carbonyl)morpholine-2-carbonitrile?
The canonical SMILES for 4-(1H-indole-7-carbonyl)morpholine-2-carbonitrile is N#CC1CN(C(=O)c2cccc3cc[nH]c23)CCO1.
What is the InChIKey of 4-(1H-indole-7-carbonyl)morpholine-2-carbonitrile?
The InChIKey is YXJPSUGMAVVFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c15-8-11-9-17(6-7-19-11)14(18)12-3-1-2-10-4-5-16-13(10)12/h1-5,11,16H,6-7,9H2.
What are the key properties of 4-(1H-indole-7-carbonyl)morpholine-2-carbonitrile?
4-(1H-indole-7-carbonyl)morpholine-2-carbonitrile has a molecular weight of 255.28 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indole-7-carbonyl)morpholine-2-carbonitrile is sourced from PubChem (CID 79035947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).