1-[3-(3,4,6,7-tetrahydro-2H-chromen-7-yl)propyl]pyrrolidine

C16H25NO — CID 148939475

IUPAC1-[3-(3,4,6,7-tetrahydro-2H-chromen-7-yl)propyl]pyrrolidine
SMILESC1=C2CCCOC2=CC(CCCN2CCCC2)C1
InChIInChI=1S/C16H25NO/c1-2-10-17(9-1)11-3-5-14-7-8-15-6-4-12-18-16(15)13-14/h8,13-14H,1-7,9-12H2
InChIKeyPNPOVTODSIZJEA-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.50
Rot. Bonds4

About 1-[3-(3,4,6,7-tetrahydro-2H-chromen-7-yl)propyl]pyrrolidine

1-[3-(3,4,6,7-tetrahydro-2H-chromen-7-yl)propyl]pyrrolidine (PubChem CID 148939475) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-[3-(3,4,6,7-tetrahydro-2H-chromen-7-yl)propyl]pyrrolidine.

Molecular Properties

Compound Name1-[3-(3,4,6,7-tetrahydro-2H-chromen-7-yl)propyl]pyrrolidine
PubChem CID148939475
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-[3-(3,4,6,7-tetrahydro-2H-chromen-7-yl)propyl]pyrrolidine
SMILESC1=C2CCCOC2=CC(CCCN2CCCC2)C1
InChIInChI=1S/C16H25NO/c1-2-10-17(9-1)11-3-5-14-7-8-15-6-4-12-18-16(15)13-14/h8,13-14H,1-7,9-12H2
InChIKeyPNPOVTODSIZJEA-UHFFFAOYSA-N
XLogP3.50
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(6-Methoxy-4,4a,5,6-tetrahydronaphthalen-2-yl)-1-methylpyrrolidine
CID 57060441
1-[3-(7-Methyl-2,3,6,7-tetrahydro-1,4-benzodioxin-6-yl)propyl]pyrrolidine
CID 91497755
1-[3-(2,3,6,7-Tetrahydro-1,4-benzodioxin-6-yl)propyl]pyrrolidine
CID 91504500
1-[(E,6E)-4-methyl-6-(3-methylideneoxan-2-ylidene)hex-4-enyl]pyrrolidine
CID 135225340
1-[3-(2,3,7,8-Tetrahydro-1,4-benzodioxin-7-yl)propyl]pyrrolidine
CID 143270008
4-[3-[(3S,4S)-3,4-dimethylcyclohexa-1,5-dien-1-yl]oxypropyl]-1-methylpiperidine
CID 165029255

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,4,6,7-tetrahydro-2H-chromen-7-yl)propyl]pyrrolidine?
The IUPAC name of 1-[3-(3,4,6,7-tetrahydro-2H-chromen-7-yl)propyl]pyrrolidine (CID 148939475) is 1-[3-(3,4,6,7-tetrahydro-2H-chromen-7-yl)propyl]pyrrolidine.
What is the SMILES notation for 1-[3-(3,4,6,7-tetrahydro-2H-chromen-7-yl)propyl]pyrrolidine?
The canonical SMILES for 1-[3-(3,4,6,7-tetrahydro-2H-chromen-7-yl)propyl]pyrrolidine is C1=C2CCCOC2=CC(CCCN2CCCC2)C1.
What is the InChIKey of 1-[3-(3,4,6,7-tetrahydro-2H-chromen-7-yl)propyl]pyrrolidine?
The InChIKey is PNPOVTODSIZJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-2-10-17(9-1)11-3-5-14-7-8-15-6-4-12-18-16(15)13-14/h8,13-14H,1-7,9-12H2.
What are the key properties of 1-[3-(3,4,6,7-tetrahydro-2H-chromen-7-yl)propyl]pyrrolidine?
1-[3-(3,4,6,7-tetrahydro-2H-chromen-7-yl)propyl]pyrrolidine has a molecular weight of 247.38 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,4,6,7-tetrahydro-2H-chromen-7-yl)propyl]pyrrolidine is sourced from PubChem (CID 148939475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).