1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrrole-3-carbaldehyde

C15H15NO2 — CID 104769067

IUPAC1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrrole-3-carbaldehyde
SMILESO=Cc1ccn(CC2CCOc3ccccc32)c1
InChIInChI=1S/C15H15NO2/c17-11-12-5-7-16(9-12)10-13-6-8-18-15-4-2-1-3-14(13)15/h1-5,7,9,11,13H,6,8,10H2
InChIKeyQGNOWXGRFQIDHU-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.87
Rot. Bonds3

About 1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrrole-3-carbaldehyde

1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrrole-3-carbaldehyde (PubChem CID 104769067) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrrole-3-carbaldehyde.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrrole-3-carbaldehyde
PubChem CID104769067
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrrole-3-carbaldehyde
SMILESO=Cc1ccn(CC2CCOc3ccccc32)c1
InChIInChI=1S/C15H15NO2/c17-11-12-5-7-16(9-12)10-13-6-8-18-15-4-2-1-3-14(13)15/h1-5,7,9,11,13H,6,8,10H2
InChIKeyQGNOWXGRFQIDHU-UHFFFAOYSA-N
XLogP2.87
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.87
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

1-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrrol-3-yl]-N-methylmethanamine
CID 104769097
cyclopropyl-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrrol-3-yl]methanamine
CID 104769112
1-(3,4-dihydro-2H-chromen-4-ylmethyl)imidazole-2-carbaldehyde
CID 104769066
[(4R)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887493
[(4S)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887495
3-(3,4-dihydro-2H-chromen-4-yl)propanal
CID 104771097
3-cyclopropyl-1-(3,4-dihydro-2H-chromen-4-ylmethyl)azetidin-3-amine
CID 104771510
(4R)-4-(iodomethyl)-3,4-dihydro-2H-chromene
CID 92908096
2-(3,4-dihydro-2H-chromen-4-yl)-1-(4-hydroxypiperidin-1-yl)ethanone
CID 111425138
2-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)azetidin-3-yl]acetic acid
CID 104768932
1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazol-3-amine
CID 104768448
4-bromo-1-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-methylpiperidine
CID 114682381

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrrole-3-carbaldehyde?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrrole-3-carbaldehyde (CID 104769067) is 1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrrole-3-carbaldehyde.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrrole-3-carbaldehyde?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrrole-3-carbaldehyde is O=Cc1ccn(CC2CCOc3ccccc32)c1.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrrole-3-carbaldehyde?
The InChIKey is QGNOWXGRFQIDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c17-11-12-5-7-16(9-12)10-13-6-8-18-15-4-2-1-3-14(13)15/h1-5,7,9,11,13H,6,8,10H2.
What are the key properties of 1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrrole-3-carbaldehyde?
1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrrole-3-carbaldehyde has a molecular weight of 241.29 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrrole-3-carbaldehyde is sourced from PubChem (CID 104769067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).