6-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]

C13H17NO — CID 82046008

IUPAC6-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]
SMILESCc1ccc2c(c1)CCC1(CCNC1)O2
InChIInChI=1S/C13H17NO/c1-10-2-3-12-11(8-10)4-5-13(15-12)6-7-14-9-13/h2-3,8,14H,4-7,9H2,1H3
InChIKeyMXTKCDKANDHTBT-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.05
Rot. Bonds

About 6-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]

6-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine] (PubChem CID 82046008) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is 6-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine].

Molecular Properties

Compound Name6-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]
PubChem CID82046008
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name6-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]
SMILESCc1ccc2c(c1)CCC1(CCNC1)O2
InChIInChI=1S/C13H17NO/c1-10-2-3-12-11(8-10)4-5-13(15-12)6-7-14-9-13/h2-3,8,14H,4-7,9H2,1H3
InChIKeyMXTKCDKANDHTBT-UHFFFAOYSA-N
XLogP2.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]?
The IUPAC name of 6-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine] (CID 82046008) is 6-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine].
What is the SMILES notation for 6-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]?
The canonical SMILES for 6-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine] is Cc1ccc2c(c1)CCC1(CCNC1)O2.
What is the InChIKey of 6-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]?
The InChIKey is MXTKCDKANDHTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-10-2-3-12-11(8-10)4-5-13(15-12)6-7-14-9-13/h2-3,8,14H,4-7,9H2,1H3.
What are the key properties of 6-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]?
6-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine] has a molecular weight of 203.29 g/mol, XLogP of 2.05, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine] is sourced from PubChem (CID 82046008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).