4-amino-5-(1-methoxypropan-2-yloxy)-1-(oxolan-2-ylmethyl)pyrrole-2-carbonitrile

C14H21N3O3 — CID 133168460

IUPAC4-amino-5-(1-methoxypropan-2-yloxy)-1-(oxolan-2-ylmethyl)pyrrole-2-carbonitrile
SMILESCOCC(C)Oc1c(N)cc(C#N)n1CC1CCCO1
InChIInChI=1S/C14H21N3O3/c1-10(9-18-2)20-14-13(16)6-11(7-15)17(14)8-12-4-3-5-19-12/h6,10,12H,3-5,8-9,16H2,1-2H3
InChIKeyFFESMGHYNSSJNG-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.53
Rot. Bonds6

About 4-amino-5-(1-methoxypropan-2-yloxy)-1-(oxolan-2-ylmethyl)pyrrole-2-carbonitrile

4-amino-5-(1-methoxypropan-2-yloxy)-1-(oxolan-2-ylmethyl)pyrrole-2-carbonitrile (PubChem CID 133168460) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-amino-5-(1-methoxypropan-2-yloxy)-1-(oxolan-2-ylmethyl)pyrrole-2-carbonitrile.

Molecular Properties

Compound Name4-amino-5-(1-methoxypropan-2-yloxy)-1-(oxolan-2-ylmethyl)pyrrole-2-carbonitrile
PubChem CID133168460
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name4-amino-5-(1-methoxypropan-2-yloxy)-1-(oxolan-2-ylmethyl)pyrrole-2-carbonitrile
SMILESCOCC(C)Oc1c(N)cc(C#N)n1CC1CCCO1
InChIInChI=1S/C14H21N3O3/c1-10(9-18-2)20-14-13(16)6-11(7-15)17(14)8-12-4-3-5-19-12/h6,10,12H,3-5,8-9,16H2,1-2H3
InChIKeyFFESMGHYNSSJNG-UHFFFAOYSA-N
XLogP1.53
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-5-bromo-1-[[(2S)-oxolan-2-yl]methyl]pyrrole-2-carbonitrile
CID 100775429
4-amino-5-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-1-[[(2R)-oxolan-2-yl]methyl]pyrrole-2-carbonitrile
CID 125062428
4-amino-5-(4-methylphenyl)sulfanyl-1-(oxolan-2-ylmethyl)pyrrole-2-carbonitrile
CID 133168508
4-amino-1-[(2R)-butan-2-yl]-5-(2-methoxyethoxy)pyrrole-2-carbonitrile
CID 100772757
4-amino-3-(oxolan-2-ylmethoxy)benzonitrile
CID 104712496
1-methoxy-3-(oxolan-2-yl)propan-2-amine
CID 62604472
2,4-diamino-1-[[(2R)-oxolan-2-yl]methyl]-6-sulfanylidenepyridine-3,5-dicarbonitrile
CID 6952139
2-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]acetonitrile
CID 116791254
N-(1-methoxypropan-2-yl)-1-(oxolan-2-ylmethyl)imidazol-2-amine
CID 106560082
3-amino-4-[2-(oxolan-2-yl)ethoxy]benzonitrile
CID 65158672
3-amino-4,6-dimethyl-1-(oxolan-2-ylmethyl)pyridin-2-one
CID 82466705
5-amino-6-methyl-1-(oxolan-2-ylmethyl)pyridin-2-one
CID 165482338

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(1-methoxypropan-2-yloxy)-1-(oxolan-2-ylmethyl)pyrrole-2-carbonitrile?
The IUPAC name of 4-amino-5-(1-methoxypropan-2-yloxy)-1-(oxolan-2-ylmethyl)pyrrole-2-carbonitrile (CID 133168460) is 4-amino-5-(1-methoxypropan-2-yloxy)-1-(oxolan-2-ylmethyl)pyrrole-2-carbonitrile.
What is the SMILES notation for 4-amino-5-(1-methoxypropan-2-yloxy)-1-(oxolan-2-ylmethyl)pyrrole-2-carbonitrile?
The canonical SMILES for 4-amino-5-(1-methoxypropan-2-yloxy)-1-(oxolan-2-ylmethyl)pyrrole-2-carbonitrile is COCC(C)Oc1c(N)cc(C#N)n1CC1CCCO1.
What is the InChIKey of 4-amino-5-(1-methoxypropan-2-yloxy)-1-(oxolan-2-ylmethyl)pyrrole-2-carbonitrile?
The InChIKey is FFESMGHYNSSJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-10(9-18-2)20-14-13(16)6-11(7-15)17(14)8-12-4-3-5-19-12/h6,10,12H,3-5,8-9,16H2,1-2H3.
What are the key properties of 4-amino-5-(1-methoxypropan-2-yloxy)-1-(oxolan-2-ylmethyl)pyrrole-2-carbonitrile?
4-amino-5-(1-methoxypropan-2-yloxy)-1-(oxolan-2-ylmethyl)pyrrole-2-carbonitrile has a molecular weight of 279.34 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(1-methoxypropan-2-yloxy)-1-(oxolan-2-ylmethyl)pyrrole-2-carbonitrile is sourced from PubChem (CID 133168460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).