(3,3-dimethyl-7-pyridin-3-yl-2,4-dihydrochromen-4-yl) carbamate

C17H18N2O3 — CID 175253943

IUPAC(3,3-dimethyl-7-pyridin-3-yl-2,4-dihydrochromen-4-yl) carbamate
SMILESCC1(C)COc2cc(-c3cccnc3)ccc2C1OC(N)=O
InChIInChI=1S/C17H18N2O3/c1-17(2)10-21-14-8-11(12-4-3-7-19-9-12)5-6-13(14)15(17)22-16(18)20/h3-9,15H,10H2,1-2H3,(H2,18,20)
InChIKeyRSJQUCCPERHOKJ-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.30
Rot. Bonds2

About (3,3-dimethyl-7-pyridin-3-yl-2,4-dihydrochromen-4-yl) carbamate

(3,3-dimethyl-7-pyridin-3-yl-2,4-dihydrochromen-4-yl) carbamate (PubChem CID 175253943) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is (3,3-dimethyl-7-pyridin-3-yl-2,4-dihydrochromen-4-yl) carbamate.

Molecular Properties

Compound Name(3,3-dimethyl-7-pyridin-3-yl-2,4-dihydrochromen-4-yl) carbamate
PubChem CID175253943
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name(3,3-dimethyl-7-pyridin-3-yl-2,4-dihydrochromen-4-yl) carbamate
SMILESCC1(C)COc2cc(-c3cccnc3)ccc2C1OC(N)=O
InChIInChI=1S/C17H18N2O3/c1-17(2)10-21-14-8-11(12-4-3-7-19-9-12)5-6-13(14)15(17)22-16(18)20/h3-9,15H,10H2,1-2H3,(H2,18,20)
InChIKeyRSJQUCCPERHOKJ-UHFFFAOYSA-N
XLogP3.30
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3,3-dimethyl-7-(3-phenylphenyl)-2,4-dihydrochromen-4-yl] carbamate
CID 175254067
(3,3-dimethyl-7-quinolin-6-yl-2,4-dihydrochromen-4-yl) carbamate
CID 175253946
(3,3-dimethyl-7-naphthalen-2-yl-2,4-dihydrochromen-4-yl) carbamate
CID 175253181
[7-(2-methoxy-4-pyridinyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate
CID 175253017
[7-(4-ethoxyphenyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate
CID 175252942
[7-(3-chloro-4-methylphenyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate
CID 175252980
[7-(4-methoxy-3,5-dimethylphenyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate
CID 175253132
[7-(2-fluoro-6-methyl-3-pyridinyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate
CID 175253227
[7-(1-benzyl-6-oxo-3-pyridinyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate
CID 175253075
[7-(2,5-difluoro-4-methoxyphenyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate
CID 175253203
[6-fluoro-7-(3-methoxyphenyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate
CID 175253145
[7-[(E)-2-(3-fluorophenyl)ethenyl]-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate
CID 175253151

Frequently Asked Questions

What is the IUPAC name of (3,3-dimethyl-7-pyridin-3-yl-2,4-dihydrochromen-4-yl) carbamate?
The IUPAC name of (3,3-dimethyl-7-pyridin-3-yl-2,4-dihydrochromen-4-yl) carbamate (CID 175253943) is (3,3-dimethyl-7-pyridin-3-yl-2,4-dihydrochromen-4-yl) carbamate.
What is the SMILES notation for (3,3-dimethyl-7-pyridin-3-yl-2,4-dihydrochromen-4-yl) carbamate?
The canonical SMILES for (3,3-dimethyl-7-pyridin-3-yl-2,4-dihydrochromen-4-yl) carbamate is CC1(C)COc2cc(-c3cccnc3)ccc2C1OC(N)=O.
What is the InChIKey of (3,3-dimethyl-7-pyridin-3-yl-2,4-dihydrochromen-4-yl) carbamate?
The InChIKey is RSJQUCCPERHOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-17(2)10-21-14-8-11(12-4-3-7-19-9-12)5-6-13(14)15(17)22-16(18)20/h3-9,15H,10H2,1-2H3,(H2,18,20).
What are the key properties of (3,3-dimethyl-7-pyridin-3-yl-2,4-dihydrochromen-4-yl) carbamate?
(3,3-dimethyl-7-pyridin-3-yl-2,4-dihydrochromen-4-yl) carbamate has a molecular weight of 298.34 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dimethyl-7-pyridin-3-yl-2,4-dihydrochromen-4-yl) carbamate is sourced from PubChem (CID 175253943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).