4-amino-1-propan-2-yl-5-propan-2-yloxypyrrole-2-carbonitrile

C11H17N3O — CID 100772555

IUPAC4-amino-1-propan-2-yl-5-propan-2-yloxypyrrole-2-carbonitrile
SMILESCC(C)Oc1c(N)cc(C#N)n1C(C)C
InChIInChI=1S/C11H17N3O/c1-7(2)14-9(6-12)5-10(13)11(14)15-8(3)4/h5,7-8H,13H2,1-4H3
InChIKeyODHVHGZGSJBZOW-UHFFFAOYSA-N
MW207.28 g/mol
LogP2.31
Rot. Bonds3

About 4-amino-1-propan-2-yl-5-propan-2-yloxypyrrole-2-carbonitrile

4-amino-1-propan-2-yl-5-propan-2-yloxypyrrole-2-carbonitrile (PubChem CID 100772555) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 4-amino-1-propan-2-yl-5-propan-2-yloxypyrrole-2-carbonitrile.

Molecular Properties

Compound Name4-amino-1-propan-2-yl-5-propan-2-yloxypyrrole-2-carbonitrile
PubChem CID100772555
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name4-amino-1-propan-2-yl-5-propan-2-yloxypyrrole-2-carbonitrile
SMILESCC(C)Oc1c(N)cc(C#N)n1C(C)C
InChIInChI=1S/C11H17N3O/c1-7(2)14-9(6-12)5-10(13)11(14)15-8(3)4/h5,7-8H,13H2,1-4H3
InChIKeyODHVHGZGSJBZOW-UHFFFAOYSA-N
XLogP2.31
TPSA63.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-5-(2-methoxyphenoxy)-1-propan-2-ylpyrrole-2-carbonitrile
CID 100774221
4-amino-1-butan-2-yl-5-[(2-methylpropan-2-yl)oxy]pyrrole-2-carbonitrile
CID 133168442
4-amino-1-[(2R)-butan-2-yl]-5-(2-methoxyethoxy)pyrrole-2-carbonitrile
CID 100772757
4-amino-5-(4-ethylpiperazin-1-yl)-1-propan-2-ylpyrrole-2-carbonitrile
CID 100771443
4-amino-1-butan-2-yl-5-(3-methoxy-3-methylbutoxy)pyrrole-2-carbonitrile
CID 133168473
methyl 4-(3-amino-1-butan-2-yl-5-cyanopyrrol-2-yl)oxybenzoate
CID 133168503
4,5-di(propan-2-yloxy)benzene-1,2-dicarbonitrile
CID 141478282
4-amino-5-(1-methoxypropan-2-yloxy)-1-pentylpyrrole-2-carbonitrile
CID 133168457
3-amino-4-propan-2-yloxybenzonitrile
CID 43518279
4-amino-5-(2-methyl-5-propan-2-ylphenoxy)-1-(2-methylpropyl)pyrrole-2-carbonitrile
CID 100774919
2-amino-5-chloro-4-propan-2-yloxybenzonitrile
CID 20506444
4-amino-5-[(2S)-1-methoxypropan-2-yl]oxy-1-[(3-methylphenyl)methyl]pyrrole-2-carbonitrile
CID 100773053

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-propan-2-yl-5-propan-2-yloxypyrrole-2-carbonitrile?
The IUPAC name of 4-amino-1-propan-2-yl-5-propan-2-yloxypyrrole-2-carbonitrile (CID 100772555) is 4-amino-1-propan-2-yl-5-propan-2-yloxypyrrole-2-carbonitrile.
What is the SMILES notation for 4-amino-1-propan-2-yl-5-propan-2-yloxypyrrole-2-carbonitrile?
The canonical SMILES for 4-amino-1-propan-2-yl-5-propan-2-yloxypyrrole-2-carbonitrile is CC(C)Oc1c(N)cc(C#N)n1C(C)C.
What is the InChIKey of 4-amino-1-propan-2-yl-5-propan-2-yloxypyrrole-2-carbonitrile?
The InChIKey is ODHVHGZGSJBZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-7(2)14-9(6-12)5-10(13)11(14)15-8(3)4/h5,7-8H,13H2,1-4H3.
What are the key properties of 4-amino-1-propan-2-yl-5-propan-2-yloxypyrrole-2-carbonitrile?
4-amino-1-propan-2-yl-5-propan-2-yloxypyrrole-2-carbonitrile has a molecular weight of 207.28 g/mol, XLogP of 2.31, 3 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-yl-5-propan-2-yloxypyrrole-2-carbonitrile is sourced from PubChem (CID 100772555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).