5-(furan-2-ylmethyl)-1-propan-2-ylpyrrole-2-carbaldehyde

C13H15NO2 — CID 100793801

IUPAC5-(furan-2-ylmethyl)-1-propan-2-ylpyrrole-2-carbaldehyde
SMILESCC(C)n1c(C=O)ccc1Cc1ccco1
InChIInChI=1S/C13H15NO2/c1-10(2)14-11(5-6-12(14)9-15)8-13-4-3-7-16-13/h3-7,9-10H,8H2,1-2H3
InChIKeyHMBJCTYXWQGKHS-UHFFFAOYSA-N
MW217.27 g/mol
LogP3.07
Rot. Bonds4

About 5-(furan-2-ylmethyl)-1-propan-2-ylpyrrole-2-carbaldehyde

5-(furan-2-ylmethyl)-1-propan-2-ylpyrrole-2-carbaldehyde (PubChem CID 100793801) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 5-(furan-2-ylmethyl)-1-propan-2-ylpyrrole-2-carbaldehyde.

Molecular Properties

Compound Name5-(furan-2-ylmethyl)-1-propan-2-ylpyrrole-2-carbaldehyde
PubChem CID100793801
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name5-(furan-2-ylmethyl)-1-propan-2-ylpyrrole-2-carbaldehyde
SMILESCC(C)n1c(C=O)ccc1Cc1ccco1
InChIInChI=1S/C13H15NO2/c1-10(2)14-11(5-6-12(14)9-15)8-13-4-3-7-16-13/h3-7,9-10H,8H2,1-2H3
InChIKeyHMBJCTYXWQGKHS-UHFFFAOYSA-N
XLogP3.07
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 1-butan-2-yl-5-(furan-2-ylmethyl)pyrrole-2-carboxylate
CID 133155163
acetaldehyde;2-(chloromethyl)furan
CID 174376101
2-methylpropyl 2-(furan-2-yl)acetate
CID 156705031
1-[(2R)-butan-2-yl]-5-butylpyrrole-2-carbaldehyde
CID 100793138
4-(furan-2-ylmethyl)-1H-pyrrole-3-carbaldehyde
CID 96630357
2-(2-methylpropyl)furan;propanoic acid
CID 158583493
4-(furan-2-yl)butanal
CID 14455558
2-[4-(furan-2-yl)butan-2-ylamino]-N,4-dimethylpentanamide
CID 43750748
1-N-(furan-2-ylmethyl)-4-methylpentane-1,2-diamine
CID 61150201
N-[2-(furan-2-ylmethylsulfanyl)propyl]-2-methylpropan-1-amine
CID 62576135
1-(furan-2-yl)-6-methylheptan-2-one
CID 123946123
2-[3-amino-2-[2-(furan-2-yl)ethyl]-4-oxoazetidin-1-yl]-2-methoxyacetaldehyde
CID 57290039

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-ylmethyl)-1-propan-2-ylpyrrole-2-carbaldehyde?
The IUPAC name of 5-(furan-2-ylmethyl)-1-propan-2-ylpyrrole-2-carbaldehyde (CID 100793801) is 5-(furan-2-ylmethyl)-1-propan-2-ylpyrrole-2-carbaldehyde.
What is the SMILES notation for 5-(furan-2-ylmethyl)-1-propan-2-ylpyrrole-2-carbaldehyde?
The canonical SMILES for 5-(furan-2-ylmethyl)-1-propan-2-ylpyrrole-2-carbaldehyde is CC(C)n1c(C=O)ccc1Cc1ccco1.
What is the InChIKey of 5-(furan-2-ylmethyl)-1-propan-2-ylpyrrole-2-carbaldehyde?
The InChIKey is HMBJCTYXWQGKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-10(2)14-11(5-6-12(14)9-15)8-13-4-3-7-16-13/h3-7,9-10H,8H2,1-2H3.
What are the key properties of 5-(furan-2-ylmethyl)-1-propan-2-ylpyrrole-2-carbaldehyde?
5-(furan-2-ylmethyl)-1-propan-2-ylpyrrole-2-carbaldehyde has a molecular weight of 217.27 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-ylmethyl)-1-propan-2-ylpyrrole-2-carbaldehyde is sourced from PubChem (CID 100793801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).