2-(9,10-dihydrophenanthren-9-yl)-1-pyrrolidin-1-ylethanone

C20H21NO — CID 170552669

IUPAC2-(9,10-dihydrophenanthren-9-yl)-1-pyrrolidin-1-ylethanone
SMILESO=C(CC1Cc2ccccc2-c2ccccc21)N1CCCC1
InChIInChI=1S/C20H21NO/c22-20(21-11-5-6-12-21)14-16-13-15-7-1-2-8-17(15)19-10-4-3-9-18(16)19/h1-4,7-10,16H,5-6,11-14H2
InChIKeyMNAOKKTUEYZFJN-UHFFFAOYSA-N
MW291.39 g/mol
LogP4.01
Rot. Bonds2

About 2-(9,10-dihydrophenanthren-9-yl)-1-pyrrolidin-1-ylethanone

2-(9,10-dihydrophenanthren-9-yl)-1-pyrrolidin-1-ylethanone (PubChem CID 170552669) has the molecular formula C20H21NO and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-(9,10-dihydrophenanthren-9-yl)-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(9,10-dihydrophenanthren-9-yl)-1-pyrrolidin-1-ylethanone
PubChem CID170552669
Molecular FormulaC20H21NO
Molecular Weight291.39 g/mol
Exact Mass291.16
IUPAC Name2-(9,10-dihydrophenanthren-9-yl)-1-pyrrolidin-1-ylethanone
SMILESO=C(CC1Cc2ccccc2-c2ccccc21)N1CCCC1
InChIInChI=1S/C20H21NO/c22-20(21-11-5-6-12-21)14-16-13-15-7-1-2-8-17(15)19-10-4-3-9-18(16)19/h1-4,7-10,16H,5-6,11-14H2
InChIKeyMNAOKKTUEYZFJN-UHFFFAOYSA-N
XLogP4.01
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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1-pyrrolidin-1-yl-3-(1,2,3,4-tetrahydroisoquinolin-4-yl)propan-1-one
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1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]piperidine-3-carboxylic acid
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(3S)-1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]piperidine-3-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of 2-(9,10-dihydrophenanthren-9-yl)-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(9,10-dihydrophenanthren-9-yl)-1-pyrrolidin-1-ylethanone (CID 170552669) is 2-(9,10-dihydrophenanthren-9-yl)-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(9,10-dihydrophenanthren-9-yl)-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(9,10-dihydrophenanthren-9-yl)-1-pyrrolidin-1-ylethanone is O=C(CC1Cc2ccccc2-c2ccccc21)N1CCCC1.
What is the InChIKey of 2-(9,10-dihydrophenanthren-9-yl)-1-pyrrolidin-1-ylethanone?
The InChIKey is MNAOKKTUEYZFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO/c22-20(21-11-5-6-12-21)14-16-13-15-7-1-2-8-17(15)19-10-4-3-9-18(16)19/h1-4,7-10,16H,5-6,11-14H2.
What are the key properties of 2-(9,10-dihydrophenanthren-9-yl)-1-pyrrolidin-1-ylethanone?
2-(9,10-dihydrophenanthren-9-yl)-1-pyrrolidin-1-ylethanone has a molecular weight of 291.39 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,10-dihydrophenanthren-9-yl)-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 170552669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).