(4-amino-1-propan-2-ylpyrrol-2-yl)-(2,5-dimethylmorpholin-4-yl)methanone

C14H23N3O2 — CID 43643737

IUPAC(4-amino-1-propan-2-ylpyrrol-2-yl)-(2,5-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2cc(N)cn2C(C)C)C(C)CO1
InChIInChI=1S/C14H23N3O2/c1-9(2)16-7-12(15)5-13(16)14(18)17-6-11(4)19-8-10(17)3/h5,7,9-11H,6,8,15H2,1-4H3
InChIKeyWKVHBBSAFUHVDW-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.90
Rot. Bonds2

About (4-amino-1-propan-2-ylpyrrol-2-yl)-(2,5-dimethylmorpholin-4-yl)methanone

(4-amino-1-propan-2-ylpyrrol-2-yl)-(2,5-dimethylmorpholin-4-yl)methanone (PubChem CID 43643737) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is (4-amino-1-propan-2-ylpyrrol-2-yl)-(2,5-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(4-amino-1-propan-2-ylpyrrol-2-yl)-(2,5-dimethylmorpholin-4-yl)methanone
PubChem CID43643737
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name(4-amino-1-propan-2-ylpyrrol-2-yl)-(2,5-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2cc(N)cn2C(C)C)C(C)CO1
InChIInChI=1S/C14H23N3O2/c1-9(2)16-7-12(15)5-13(16)14(18)17-6-11(4)19-8-10(17)3/h5,7,9-11H,6,8,15H2,1-4H3
InChIKeyWKVHBBSAFUHVDW-UHFFFAOYSA-N
XLogP1.90
TPSA60.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-amino-1-propan-2-ylpyrrol-2-yl)-(2,5-dimethylmorpholin-4-yl)methanone?
The IUPAC name of (4-amino-1-propan-2-ylpyrrol-2-yl)-(2,5-dimethylmorpholin-4-yl)methanone (CID 43643737) is (4-amino-1-propan-2-ylpyrrol-2-yl)-(2,5-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for (4-amino-1-propan-2-ylpyrrol-2-yl)-(2,5-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for (4-amino-1-propan-2-ylpyrrol-2-yl)-(2,5-dimethylmorpholin-4-yl)methanone is CC1CN(C(=O)c2cc(N)cn2C(C)C)C(C)CO1.
What is the InChIKey of (4-amino-1-propan-2-ylpyrrol-2-yl)-(2,5-dimethylmorpholin-4-yl)methanone?
The InChIKey is WKVHBBSAFUHVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-9(2)16-7-12(15)5-13(16)14(18)17-6-11(4)19-8-10(17)3/h5,7,9-11H,6,8,15H2,1-4H3.
What are the key properties of (4-amino-1-propan-2-ylpyrrol-2-yl)-(2,5-dimethylmorpholin-4-yl)methanone?
(4-amino-1-propan-2-ylpyrrol-2-yl)-(2,5-dimethylmorpholin-4-yl)methanone has a molecular weight of 265.36 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1-propan-2-ylpyrrol-2-yl)-(2,5-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 43643737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).