1-[3-(3,4-dihydro-2H-chromen-6-yloxy)propyl]pyrrole

C16H19NO2 — CID 174585174

IUPAC1-[3-(3,4-dihydro-2H-chromen-6-yloxy)propyl]pyrrole
SMILESc1ccn(CCCOc2ccc3c(c2)CCCO3)c1
InChIInChI=1S/C16H19NO2/c1-2-9-17(8-1)10-4-12-18-15-6-7-16-14(13-15)5-3-11-19-16/h1-2,6-9,13H,3-5,10-12H2
InChIKeyQFRJRTZWLKHKKH-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.28
Rot. Bonds5

About 1-[3-(3,4-dihydro-2H-chromen-6-yloxy)propyl]pyrrole

1-[3-(3,4-dihydro-2H-chromen-6-yloxy)propyl]pyrrole (PubChem CID 174585174) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 1-[3-(3,4-dihydro-2H-chromen-6-yloxy)propyl]pyrrole.

Molecular Properties

Compound Name1-[3-(3,4-dihydro-2H-chromen-6-yloxy)propyl]pyrrole
PubChem CID174585174
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name1-[3-(3,4-dihydro-2H-chromen-6-yloxy)propyl]pyrrole
SMILESc1ccn(CCCOc2ccc3c(c2)CCCO3)c1
InChIInChI=1S/C16H19NO2/c1-2-9-17(8-1)10-4-12-18-15-6-7-16-14(13-15)5-3-11-19-16/h1-2,6-9,13H,3-5,10-12H2
InChIKeyQFRJRTZWLKHKKH-UHFFFAOYSA-N
XLogP3.28
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(3,4-dihydro-2H-chromen-6-yloxy)-1-pyrrol-1-ylbutan-1-one
CID 141195435
6-[5-(3-ethoxypropoxy)pentoxy]-3,4-dihydro-2H-chromene
CID 170004659
3-(3,4-dihydro-2H-chromen-6-yloxy)-N,N-dimethylpropanamide
CID 141195389
1-[3-(3,4-dihydro-2H-chromen-7-yloxy)propyl]piperidine
CID 141195419
3-(3,4-dihydro-2H-chromen-6-yloxy)-1-piperidin-1-ylpropan-1-one
CID 141195466
3,4-dihydro-2H-chromen-6-yl dihydrogen phosphate
CID 54141331
N,N-dimethyl-1-[4-[4-(3-pyrrol-1-ylpropoxy)phenyl]oxan-4-yl]methanamine
CID 141125875
6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydrochromen-4-one
CID 141317763
4-(3,4-dihydro-2H-chromen-7-yloxy)-N,N-dimethylbutanamide
CID 141195387
6-[4-[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]phenyl]-3,4-dihydro-2H-chromene
CID 71339532
6-(methoxymethyl)-3,4-dihydro-2H-chromene
CID 116932250
4-(3,4-dihydro-2H-chromen-6-yloxy)piperidine
CID 28815096

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,4-dihydro-2H-chromen-6-yloxy)propyl]pyrrole?
The IUPAC name of 1-[3-(3,4-dihydro-2H-chromen-6-yloxy)propyl]pyrrole (CID 174585174) is 1-[3-(3,4-dihydro-2H-chromen-6-yloxy)propyl]pyrrole.
What is the SMILES notation for 1-[3-(3,4-dihydro-2H-chromen-6-yloxy)propyl]pyrrole?
The canonical SMILES for 1-[3-(3,4-dihydro-2H-chromen-6-yloxy)propyl]pyrrole is c1ccn(CCCOc2ccc3c(c2)CCCO3)c1.
What is the InChIKey of 1-[3-(3,4-dihydro-2H-chromen-6-yloxy)propyl]pyrrole?
The InChIKey is QFRJRTZWLKHKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-2-9-17(8-1)10-4-12-18-15-6-7-16-14(13-15)5-3-11-19-16/h1-2,6-9,13H,3-5,10-12H2.
What are the key properties of 1-[3-(3,4-dihydro-2H-chromen-6-yloxy)propyl]pyrrole?
1-[3-(3,4-dihydro-2H-chromen-6-yloxy)propyl]pyrrole has a molecular weight of 257.33 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,4-dihydro-2H-chromen-6-yloxy)propyl]pyrrole is sourced from PubChem (CID 174585174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).