3-[(6-methyl-3,4-dihydro-2H-chromen-4-yl)methyl]-1H-pyrrole

C15H17NO — CID 143737496

IUPAC3-[(6-methyl-3,4-dihydro-2H-chromen-4-yl)methyl]-1H-pyrrole
SMILESCc1ccc2c(c1)C(Cc1cc[nH]c1)CCO2
InChIInChI=1S/C15H17NO/c1-11-2-3-15-14(8-11)13(5-7-17-15)9-12-4-6-16-10-12/h2-4,6,8,10,13,16H,5,7,9H2,1H3
InChIKeyCTPVWRPWZMCLLJ-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.43
Rot. Bonds2

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

3-[(6-methyl-3,4-dihydro-2H-chromen-4-yl)methyl]-1H-pyrrole (PubChem CID 143737496) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 3-[(6-methyl-3,4-dihydro-2H-chromen-4-yl)methyl]-1H-pyrrole.

Molecular Properties

Compound Name3-[(6-methyl-3,4-dihydro-2H-chromen-4-yl)methyl]-1H-pyrrole
PubChem CID143737496
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name3-[(6-methyl-3,4-dihydro-2H-chromen-4-yl)methyl]-1H-pyrrole
SMILESCc1ccc2c(c1)C(Cc1cc[nH]c1)CCO2
InChIInChI=1S/C15H17NO/c1-11-2-3-15-14(8-11)13(5-7-17-15)9-12-4-6-16-10-12/h2-4,6,8,10,13,16H,5,7,9H2,1H3
InChIKeyCTPVWRPWZMCLLJ-UHFFFAOYSA-N
XLogP3.43
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;3-[(6-methyl-3,4-dihydro-2H-chromen-4-yl)methyl]-1H-pyrrole;pentan-2-one
CID 143737535
N-methyl-1-(6-methyl-3,4-dihydro-2H-chromen-4-yl)methanamine
CID 83907392
(4R)-6-methyl-4-propan-2-yl-3,4-dihydro-2H-chromene
CID 167327532
[(4R)-6-methyl-3,4-dihydro-2H-chromen-4-yl] acetate
CID 102427933
9-methyl-2,3,3a,4,5,10b-hexahydro-1H-[1]benzoxepino[4,5-c]pyrrole
CID 67166489
(6-ethyl-3,4-dihydro-2H-chromen-4-yl)methanamine
CID 82075648
N-methoxy-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 81482054
2-(7-methyl-3,4-dihydro-2H-chromen-4-yl)acetaldehyde
CID 87790896
2-(3,4-dimethoxyphenyl)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)acetamide
CID 108734105
2,2,2-trichloro-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)acetamide
CID 108734077
1-[(7-methyl-3,4-dihydro-2H-chromen-4-yl)methyl]cyclopropan-1-amine
CID 83910098
2-bromo-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)butanamide
CID 108734108

Frequently Asked Questions

What is the IUPAC name of 3-[(6-methyl-3,4-dihydro-2H-chromen-4-yl)methyl]-1H-pyrrole?
The IUPAC name of 3-[(6-methyl-3,4-dihydro-2H-chromen-4-yl)methyl]-1H-pyrrole (CID 143737496) is 3-[(6-methyl-3,4-dihydro-2H-chromen-4-yl)methyl]-1H-pyrrole.
What is the SMILES notation for 3-[(6-methyl-3,4-dihydro-2H-chromen-4-yl)methyl]-1H-pyrrole?
The canonical SMILES for 3-[(6-methyl-3,4-dihydro-2H-chromen-4-yl)methyl]-1H-pyrrole is Cc1ccc2c(c1)C(Cc1cc[nH]c1)CCO2.
What is the InChIKey of 3-[(6-methyl-3,4-dihydro-2H-chromen-4-yl)methyl]-1H-pyrrole?
The InChIKey is CTPVWRPWZMCLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-11-2-3-15-14(8-11)13(5-7-17-15)9-12-4-6-16-10-12/h2-4,6,8,10,13,16H,5,7,9H2,1H3.
What are the key properties of 3-[(6-methyl-3,4-dihydro-2H-chromen-4-yl)methyl]-1H-pyrrole?
3-[(6-methyl-3,4-dihydro-2H-chromen-4-yl)methyl]-1H-pyrrole has a molecular weight of 227.31 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-methyl-3,4-dihydro-2H-chromen-4-yl)methyl]-1H-pyrrole is sourced from PubChem (CID 143737496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).