3-[(1-methylpyrrol-2-yl)methyl-(2-morpholin-4-ylethyl)amino]propanenitrile

C15H24N4O — CID 75413311

IUPAC3-[(1-methylpyrrol-2-yl)methyl-(2-morpholin-4-ylethyl)amino]propanenitrile
SMILESCn1cccc1CN(CCC#N)CCN1CCOCC1
InChIInChI=1S/C15H24N4O/c1-17-6-2-4-15(17)14-19(7-3-5-16)9-8-18-10-12-20-13-11-18/h2,4,6H,3,7-14H2,1H3
InChIKeyLIYFJBDVVUZKRF-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.07
Rot. Bonds7

About 3-[(1-methylpyrrol-2-yl)methyl-(2-morpholin-4-ylethyl)amino]propanenitrile

3-[(1-methylpyrrol-2-yl)methyl-(2-morpholin-4-ylethyl)amino]propanenitrile (PubChem CID 75413311) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-[(1-methylpyrrol-2-yl)methyl-(2-morpholin-4-ylethyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[(1-methylpyrrol-2-yl)methyl-(2-morpholin-4-ylethyl)amino]propanenitrile
PubChem CID75413311
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name3-[(1-methylpyrrol-2-yl)methyl-(2-morpholin-4-ylethyl)amino]propanenitrile
SMILESCn1cccc1CN(CCC#N)CCN1CCOCC1
InChIInChI=1S/C15H24N4O/c1-17-6-2-4-15(17)14-19(7-3-5-16)9-8-18-10-12-20-13-11-18/h2,4,6H,3,7-14H2,1H3
InChIKeyLIYFJBDVVUZKRF-UHFFFAOYSA-N
XLogP1.07
TPSA44.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylpyrrol-2-yl)methyl-(2-morpholin-4-ylethyl)amino]propanenitrile?
The IUPAC name of 3-[(1-methylpyrrol-2-yl)methyl-(2-morpholin-4-ylethyl)amino]propanenitrile (CID 75413311) is 3-[(1-methylpyrrol-2-yl)methyl-(2-morpholin-4-ylethyl)amino]propanenitrile.
What is the SMILES notation for 3-[(1-methylpyrrol-2-yl)methyl-(2-morpholin-4-ylethyl)amino]propanenitrile?
The canonical SMILES for 3-[(1-methylpyrrol-2-yl)methyl-(2-morpholin-4-ylethyl)amino]propanenitrile is Cn1cccc1CN(CCC#N)CCN1CCOCC1.
What is the InChIKey of 3-[(1-methylpyrrol-2-yl)methyl-(2-morpholin-4-ylethyl)amino]propanenitrile?
The InChIKey is LIYFJBDVVUZKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-17-6-2-4-15(17)14-19(7-3-5-16)9-8-18-10-12-20-13-11-18/h2,4,6H,3,7-14H2,1H3.
What are the key properties of 3-[(1-methylpyrrol-2-yl)methyl-(2-morpholin-4-ylethyl)amino]propanenitrile?
3-[(1-methylpyrrol-2-yl)methyl-(2-morpholin-4-ylethyl)amino]propanenitrile has a molecular weight of 276.38 g/mol, XLogP of 1.07, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylpyrrol-2-yl)methyl-(2-morpholin-4-ylethyl)amino]propanenitrile is sourced from PubChem (CID 75413311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).