pyrrolidin-1-yl(9H-xanthen-9-yl)methanone

C18H17NO2 — CID 718115

IUPACpyrrolidin-1-yl(9H-xanthen-9-yl)methanone
SMILESO=C(C1c2ccccc2Oc2ccccc21)N1CCCC1
InChIInChI=1S/C18H17NO2/c20-18(19-11-5-6-12-19)17-13-7-1-3-9-15(13)21-16-10-4-2-8-14(16)17/h1-4,7-10,17H,5-6,11-12H2
InChIKeyIBPQONCUHONGQW-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.55
Rot. Bonds1

About pyrrolidin-1-yl(9H-xanthen-9-yl)methanone

pyrrolidin-1-yl(9H-xanthen-9-yl)methanone (PubChem CID 718115) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is pyrrolidin-1-yl(9H-xanthen-9-yl)methanone.

Molecular Properties

Compound Namepyrrolidin-1-yl(9H-xanthen-9-yl)methanone
PubChem CID718115
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Namepyrrolidin-1-yl(9H-xanthen-9-yl)methanone
SMILESO=C(C1c2ccccc2Oc2ccccc21)N1CCCC1
InChIInChI=1S/C18H17NO2/c20-18(19-11-5-6-12-19)17-13-7-1-3-9-15(13)21-16-10-4-2-8-14(16)17/h1-4,7-10,17H,5-6,11-12H2
InChIKeyIBPQONCUHONGQW-UHFFFAOYSA-N
XLogP3.55
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9H-Xanthene-9-carboxamide
CID 725576
N-tert-butyl-9H-xanthene-9-carboxamide
CID 718106
N-(3-methoxypropyl)-9H-xanthene-9-carboxamide
CID 1928115
N-butyl-9H-xanthene-9-carboxamide
CID 1928177
N-(1-methoxypropan-2-yl)-9H-xanthene-9-carboxamide
CID 2905426
N,N-diethyl-9H-xanthene-9-carboxamide
CID 669620
N-benzyl-9H-xanthene-9-carboxamide
CID 718110
Cyclohexyl-[4-(2-methoxyphenyl)piperidin-1-yl]methanone
CID 2802380
2-(4-Methoxyphenyl)-1-(3-phenylpyrrolidin-1-yl)ethanone
CID 2908424
N-[1-(oxolan-2-yl)ethyl]-9H-xanthene-9-carboxamide
CID 2970994
N-(3-ethoxypropyl)-9H-xanthene-9-carboxamide
CID 3151963
2-(2-Methoxyphenyl)-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone
CID 6465271

Frequently Asked Questions

What is the IUPAC name of pyrrolidin-1-yl(9H-xanthen-9-yl)methanone?
The IUPAC name of pyrrolidin-1-yl(9H-xanthen-9-yl)methanone (CID 718115) is pyrrolidin-1-yl(9H-xanthen-9-yl)methanone.
What is the SMILES notation for pyrrolidin-1-yl(9H-xanthen-9-yl)methanone?
The canonical SMILES for pyrrolidin-1-yl(9H-xanthen-9-yl)methanone is O=C(C1c2ccccc2Oc2ccccc21)N1CCCC1.
What is the InChIKey of pyrrolidin-1-yl(9H-xanthen-9-yl)methanone?
The InChIKey is IBPQONCUHONGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c20-18(19-11-5-6-12-19)17-13-7-1-3-9-15(13)21-16-10-4-2-8-14(16)17/h1-4,7-10,17H,5-6,11-12H2.
What are the key properties of pyrrolidin-1-yl(9H-xanthen-9-yl)methanone?
pyrrolidin-1-yl(9H-xanthen-9-yl)methanone has a molecular weight of 279.34 g/mol, XLogP of 3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-1-yl(9H-xanthen-9-yl)methanone is sourced from PubChem (CID 718115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).