2-(7-methyl-3,4-dihydro-2H-chromen-4-yl)pyrrolidine

C14H19NO — CID 105471586

IUPAC2-(7-methyl-3,4-dihydro-2H-chromen-4-yl)pyrrolidine
SMILESCc1ccc2c(c1)OCCC2C1CCCN1
InChIInChI=1S/C14H19NO/c1-10-4-5-12-11(13-3-2-7-15-13)6-8-16-14(12)9-10/h4-5,9,11,13,15H,2-3,6-8H2,1H3
InChIKeyDOJYKMWBMWZMAD-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.61
Rot. Bonds1

About 2-(7-methyl-3,4-dihydro-2H-chromen-4-yl)pyrrolidine

2-(7-methyl-3,4-dihydro-2H-chromen-4-yl)pyrrolidine (PubChem CID 105471586) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-(7-methyl-3,4-dihydro-2H-chromen-4-yl)pyrrolidine.

Molecular Properties

Compound Name2-(7-methyl-3,4-dihydro-2H-chromen-4-yl)pyrrolidine
PubChem CID105471586
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name2-(7-methyl-3,4-dihydro-2H-chromen-4-yl)pyrrolidine
SMILESCc1ccc2c(c1)OCCC2C1CCCN1
InChIInChI=1S/C14H19NO/c1-10-4-5-12-11(13-3-2-7-15-13)6-8-16-14(12)9-10/h4-5,9,11,13,15H,2-3,6-8H2,1H3
InChIKeyDOJYKMWBMWZMAD-UHFFFAOYSA-N
XLogP2.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(8-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-5-yl)methanol
CID 165458581
5,8-dimethyl-2,3,4,5-tetrahydro-1-benzoxepine;ethane
CID 143826176
7-methyl-3,4-dihydro-2H-chromene-4-carbaldehyde
CID 83906145
2-(7-methyl-3,4-dihydro-2H-chromen-4-yl)acetaldehyde
CID 87790896
1-[(7-methyl-3,4-dihydro-2H-chromen-4-yl)methyl]cyclopropan-1-amine
CID 83910098
(10bR)-9-methyl-1,2,3,4,5,5a,6,10b-octahydroazepino[4,3-b]indole
CID 71128959
2-(7-methyl-2,3-dihydro-1H-inden-1-yl)pyrrolidine
CID 105453860
8-methyl-2,3,4,5-tetrahydro-1-benzoxepin-4-amine
CID 82410402
5-methyl-2-pyrrolidin-2-ylphenol
CID 55283329
8-methyl-N-propyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 79983235
9-methyl-2,3,3a,4,5,10b-hexahydro-1H-[1]benzoxepino[4,5-c]pyrrole
CID 67166489
2-(8-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine
CID 105469179

Frequently Asked Questions

What is the IUPAC name of 2-(7-methyl-3,4-dihydro-2H-chromen-4-yl)pyrrolidine?
The IUPAC name of 2-(7-methyl-3,4-dihydro-2H-chromen-4-yl)pyrrolidine (CID 105471586) is 2-(7-methyl-3,4-dihydro-2H-chromen-4-yl)pyrrolidine.
What is the SMILES notation for 2-(7-methyl-3,4-dihydro-2H-chromen-4-yl)pyrrolidine?
The canonical SMILES for 2-(7-methyl-3,4-dihydro-2H-chromen-4-yl)pyrrolidine is Cc1ccc2c(c1)OCCC2C1CCCN1.
What is the InChIKey of 2-(7-methyl-3,4-dihydro-2H-chromen-4-yl)pyrrolidine?
The InChIKey is DOJYKMWBMWZMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-10-4-5-12-11(13-3-2-7-15-13)6-8-16-14(12)9-10/h4-5,9,11,13,15H,2-3,6-8H2,1H3.
What are the key properties of 2-(7-methyl-3,4-dihydro-2H-chromen-4-yl)pyrrolidine?
2-(7-methyl-3,4-dihydro-2H-chromen-4-yl)pyrrolidine has a molecular weight of 217.31 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methyl-3,4-dihydro-2H-chromen-4-yl)pyrrolidine is sourced from PubChem (CID 105471586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).