1-methoxypropane;3-methyl-4-propyl-1H-pyrrole-2,5-dicarbaldehyde;molecular hydrogen

C14H25NO3 — CID 142993513

IUPAC1-methoxypropane;3-methyl-4-propyl-1H-pyrrole-2,5-dicarbaldehyde;molecular hydrogen
SMILESCCCOC.CCCc1c(C=O)[nH]c(C=O)c1C.[H][H]
InChIInChI=1S/C10H13NO2.C4H10O.H2/c1-3-4-8-7(2)9(5-12)11-10(8)6-13;1-3-4-5-2;/h5-6,11H,3-4H2,1-2H3;3-4H2,1-2H3;1H
InChIKeyQHISLCIFGQMOPF-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.19
Rot. Bonds6

About 1-methoxypropane;3-methyl-4-propyl-1H-pyrrole-2,5-dicarbaldehyde;molecular hydrogen

1-methoxypropane;3-methyl-4-propyl-1H-pyrrole-2,5-dicarbaldehyde;molecular hydrogen (PubChem CID 142993513) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-methoxypropane;3-methyl-4-propyl-1H-pyrrole-2,5-dicarbaldehyde;molecular hydrogen.

Molecular Properties

Compound Name1-methoxypropane;3-methyl-4-propyl-1H-pyrrole-2,5-dicarbaldehyde;molecular hydrogen
PubChem CID142993513
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name1-methoxypropane;3-methyl-4-propyl-1H-pyrrole-2,5-dicarbaldehyde;molecular hydrogen
SMILESCCCOC.CCCc1c(C=O)[nH]c(C=O)c1C.[H][H]
InChIInChI=1S/C10H13NO2.C4H10O.H2/c1-3-4-8-7(2)9(5-12)11-10(8)6-13;1-3-4-5-2;/h5-6,11H,3-4H2,1-2H3;3-4H2,1-2H3;1H
InChIKeyQHISLCIFGQMOPF-UHFFFAOYSA-N
XLogP3.19
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

Pyrrole, 2,4-diacetyl-3,5-dimethyl-
CID 200285
1-(5-ethyl-2,4-dimethyl-1H-pyrrol-3-yl)ethan-1-one
CID 653478
3,4-Dimethyl-2,5-pyrroledicarboxaldehyde
CID 3599076
5-Phenyl-1H-pyrrole-2-carbaldehyde
CID 598782
2,5-dimethyl-1H-pyrrole-3,4-dicarbaldehyde
CID 4328171
1-(4-Ethyl-3,5-dimethyl-1H-pyrrol-2-yl)ethanone
CID 15162
4-Ethyl-3,5-dimethyl-1H-pyrrole-2-carboxaldehyde
CID 138703
3,5-Dimethyl-1H-pyrrole-2-carbaldehyde
CID 270465
5-((3,4-Diethyl-5-((3-ethyl-5-formyl-4-methyl-1H-pyrrol-2-yl)methyl)-1H-pyrrol-2-yl)methyl)-4-ethyl-3-methyl-1H-pyrrole-2-carbaldehyde
CID 374127
3-(Heptafluoropropyl)-5-methyl-1H-pyrrole-2-carbaldehyde
CID 85604273
4,5-Dimethyl-1H-pyrrole-2-carbaldehyde
CID 578970
1H-Pyrrole-2-carboxaldehyde, 5,5'-methylenebis[3,4-dimethyl-
CID 4322724

Frequently Asked Questions

What is the IUPAC name of 1-methoxypropane;3-methyl-4-propyl-1H-pyrrole-2,5-dicarbaldehyde;molecular hydrogen?
The IUPAC name of 1-methoxypropane;3-methyl-4-propyl-1H-pyrrole-2,5-dicarbaldehyde;molecular hydrogen (CID 142993513) is 1-methoxypropane;3-methyl-4-propyl-1H-pyrrole-2,5-dicarbaldehyde;molecular hydrogen.
What is the SMILES notation for 1-methoxypropane;3-methyl-4-propyl-1H-pyrrole-2,5-dicarbaldehyde;molecular hydrogen?
The canonical SMILES for 1-methoxypropane;3-methyl-4-propyl-1H-pyrrole-2,5-dicarbaldehyde;molecular hydrogen is CCCOC.CCCc1c(C=O)[nH]c(C=O)c1C.[H][H].
What is the InChIKey of 1-methoxypropane;3-methyl-4-propyl-1H-pyrrole-2,5-dicarbaldehyde;molecular hydrogen?
The InChIKey is QHISLCIFGQMOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2.C4H10O.H2/c1-3-4-8-7(2)9(5-12)11-10(8)6-13;1-3-4-5-2;/h5-6,11H,3-4H2,1-2H3;3-4H2,1-2H3;1H.
What are the key properties of 1-methoxypropane;3-methyl-4-propyl-1H-pyrrole-2,5-dicarbaldehyde;molecular hydrogen?
1-methoxypropane;3-methyl-4-propyl-1H-pyrrole-2,5-dicarbaldehyde;molecular hydrogen has a molecular weight of 255.36 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxypropane;3-methyl-4-propyl-1H-pyrrole-2,5-dicarbaldehyde;molecular hydrogen is sourced from PubChem (CID 142993513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).