(1S,2R,4S)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide

C18H23NO — CID 98785770

IUPAC(1S,2R,4S)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide
SMILESCN(C(=O)[C@@H]1C[C@H]2CC[C@H]1C2)[C@H]1CCc2ccccc21
InChIInChI=1S/C18H23NO/c1-19(17-9-8-13-4-2-3-5-15(13)17)18(20)16-11-12-6-7-14(16)10-12/h2-5,12,14,16-17H,6-11H2,1H3/t12-,14-,16+,17-/m0/s1
InChIKeyIVBGKUJASUZVAX-SDNTUTLCSA-N
MW269.39 g/mol
LogP3.57
Rot. Bonds2

About (1S,2R,4S)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide

(1S,2R,4S)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 98785770) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is (1S,2R,4S)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name(1S,2R,4S)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide
PubChem CID98785770
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name(1S,2R,4S)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide
SMILESCN(C(=O)[C@@H]1C[C@H]2CC[C@H]1C2)[C@H]1CCc2ccccc21
InChIInChI=1S/C18H23NO/c1-19(17-9-8-13-4-2-3-5-15(13)17)18(20)16-11-12-6-7-14(16)10-12/h2-5,12,14,16-17H,6-11H2,1H3/t12-,14-,16+,17-/m0/s1
InChIKeyIVBGKUJASUZVAX-SDNTUTLCSA-N
XLogP3.57
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,4S)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of (1S,2R,4S)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide (CID 98785770) is (1S,2R,4S)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for (1S,2R,4S)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for (1S,2R,4S)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide is CN(C(=O)[C@@H]1C[C@H]2CC[C@H]1C2)[C@H]1CCc2ccccc21.
What is the InChIKey of (1S,2R,4S)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is IVBGKUJASUZVAX-SDNTUTLCSA-N. The full InChI is InChI=1S/C18H23NO/c1-19(17-9-8-13-4-2-3-5-15(13)17)18(20)16-11-12-6-7-14(16)10-12/h2-5,12,14,16-17H,6-11H2,1H3/t12-,14-,16+,17-/m0/s1.
What are the key properties of (1S,2R,4S)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide?
(1S,2R,4S)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 269.39 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,4S)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 98785770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).