1-(1-ethyl-10-methyl-10-azatetracyclo[9.3.1.02,7.09,14]pentadeca-2,4,6-trien-12-yl)ethanone

C19H25NO — CID 12880283

IUPAC1-(1-ethyl-10-methyl-10-azatetracyclo[9.3.1.02,7.09,14]pentadeca-2,4,6-trien-12-yl)ethanone
SMILESCCC12CC3C(C(C)=O)CC1C(Cc1ccccc12)N3C
InChIInChI=1S/C19H25NO/c1-4-19-11-18-14(12(2)21)10-16(19)17(20(18)3)9-13-7-5-6-8-15(13)19/h5-8,14,16-18H,4,9-11H2,1-3H3
InChIKeyKGWDPEZOMLMPQM-UHFFFAOYSA-N
MW283.41 g/mol
LogP3.19
Rot. Bonds2

About 1-(1-ethyl-10-methyl-10-azatetracyclo[9.3.1.02,7.09,14]pentadeca-2,4,6-trien-12-yl)ethanone

1-(1-ethyl-10-methyl-10-azatetracyclo[9.3.1.02,7.09,14]pentadeca-2,4,6-trien-12-yl)ethanone (PubChem CID 12880283) has the molecular formula C19H25NO and a molecular weight of 283.41 g/mol. Its IUPAC name is 1-(1-ethyl-10-methyl-10-azatetracyclo[9.3.1.02,7.09,14]pentadeca-2,4,6-trien-12-yl)ethanone.

Molecular Properties

Compound Name1-(1-ethyl-10-methyl-10-azatetracyclo[9.3.1.02,7.09,14]pentadeca-2,4,6-trien-12-yl)ethanone
PubChem CID12880283
Molecular FormulaC19H25NO
Molecular Weight283.41 g/mol
Exact Mass283.19
IUPAC Name1-(1-ethyl-10-methyl-10-azatetracyclo[9.3.1.02,7.09,14]pentadeca-2,4,6-trien-12-yl)ethanone
SMILESCCC12CC3C(C(C)=O)CC1C(Cc1ccccc12)N3C
InChIInChI=1S/C19H25NO/c1-4-19-11-18-14(12(2)21)10-16(19)17(20(18)3)9-13-7-5-6-8-15(13)19/h5-8,14,16-18H,4,9-11H2,1-3H3
InChIKeyKGWDPEZOMLMPQM-UHFFFAOYSA-N
XLogP3.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-ethyl-10-methyl-10-azatetracyclo[9.3.1.02,7.09,14]pentadeca-2,4,6-triene-12-carboxylic acid;hydrobromide
CID 70590654
1-[(1S)-1-ethyl-10-methyl-10-azatetracyclo[9.3.1.02,7.09,14]pentadeca-2,4,6-trien-12-yl]butan-1-one
CID 70591050
2-[(1S)-1-ethyl-10-methyl-10-azatetracyclo[9.3.1.02,7.09,14]pentadeca-2,4,6-trien-12-yl]propan-2-ol
CID 22804099
2-[(1S)-1-ethyl-10-methyl-10-azatetracyclo[9.3.1.02,7.09,14]pentadeca-2,4,6-trien-12-yl]pentan-2-ol;hydrochloride
CID 22804106
1-[(1S)-1-ethyl-10-azatetracyclo[9.3.1.02,7.09,14]pentadeca-2,4,6-trien-12-yl]ethanone;hydrochloride
CID 70590659
ethyl (1R)-10-methyl-1-(2-phenylsulfanylethyl)-10-azatetracyclo[9.3.1.02,7.09,14]pentadeca-2,4,6-triene-12-carboxylate
CID 70593993
ethyl (1R)-10-(cyclopropylmethyl)-1-ethyl-10-azatetracyclo[9.3.1.02,7.09,14]pentadeca-2,4,6-triene-12-carboxylate
CID 70590288
1-(1-ethyl-10,14-dimethyl-10-azatetracyclo[9.3.1.02,7.09,14]pentadeca-2,4,6-trien-12-yl)ethanone
CID 12880872
1-ethyl-10,11-dimethyl-10-azatetracyclo[10.2.2.02,7.09,14]hexadeca-2,4,6-triene
CID 12880317
ethyl (1R)-1-ethenyl-10-methyl-10-azatetracyclo[9.3.1.02,7.09,14]pentadeca-2,4,6-triene-12-carboxylate
CID 70593949
ethyl (1S)-1-methyl-10-(1-phenylethyl)-10-azatetracyclo[9.3.1.02,7.09,14]pentadeca-2,4,6-triene-12-carboxylate
CID 70590358
(1R)-1-ethyl-10,11-dimethyl-10-azatetracyclo[10.2.2.02,7.09,14]hexadeca-2,4,6,15-tetraene;hydrochloride
CID 70590551

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-10-methyl-10-azatetracyclo[9.3.1.02,7.09,14]pentadeca-2,4,6-trien-12-yl)ethanone?
The IUPAC name of 1-(1-ethyl-10-methyl-10-azatetracyclo[9.3.1.02,7.09,14]pentadeca-2,4,6-trien-12-yl)ethanone (CID 12880283) is 1-(1-ethyl-10-methyl-10-azatetracyclo[9.3.1.02,7.09,14]pentadeca-2,4,6-trien-12-yl)ethanone.
What is the SMILES notation for 1-(1-ethyl-10-methyl-10-azatetracyclo[9.3.1.02,7.09,14]pentadeca-2,4,6-trien-12-yl)ethanone?
The canonical SMILES for 1-(1-ethyl-10-methyl-10-azatetracyclo[9.3.1.02,7.09,14]pentadeca-2,4,6-trien-12-yl)ethanone is CCC12CC3C(C(C)=O)CC1C(Cc1ccccc12)N3C.
What is the InChIKey of 1-(1-ethyl-10-methyl-10-azatetracyclo[9.3.1.02,7.09,14]pentadeca-2,4,6-trien-12-yl)ethanone?
The InChIKey is KGWDPEZOMLMPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-4-19-11-18-14(12(2)21)10-16(19)17(20(18)3)9-13-7-5-6-8-15(13)19/h5-8,14,16-18H,4,9-11H2,1-3H3.
What are the key properties of 1-(1-ethyl-10-methyl-10-azatetracyclo[9.3.1.02,7.09,14]pentadeca-2,4,6-trien-12-yl)ethanone?
1-(1-ethyl-10-methyl-10-azatetracyclo[9.3.1.02,7.09,14]pentadeca-2,4,6-trien-12-yl)ethanone has a molecular weight of 283.41 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-10-methyl-10-azatetracyclo[9.3.1.02,7.09,14]pentadeca-2,4,6-trien-12-yl)ethanone is sourced from PubChem (CID 12880283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).