(3-benzoyl-2-methylidene-1,3-diazinan-1-yl)-phenylmethanone

C19H18N2O2 — CID 101497128

IUPAC(3-benzoyl-2-methylidene-1,3-diazinan-1-yl)-phenylmethanone
SMILESC=C1N(C(=O)c2ccccc2)CCCN1C(=O)c1ccccc1
InChIInChI=1S/C19H18N2O2/c1-15-20(18(22)16-9-4-2-5-10-16)13-8-14-21(15)19(23)17-11-6-3-7-12-17/h2-7,9-12H,1,8,13-14H2
InChIKeyYRTGHCIHKJPTJQ-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.15
Rot. Bonds2

About (3-benzoyl-2-methylidene-1,3-diazinan-1-yl)-phenylmethanone

(3-benzoyl-2-methylidene-1,3-diazinan-1-yl)-phenylmethanone (PubChem CID 101497128) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is (3-benzoyl-2-methylidene-1,3-diazinan-1-yl)-phenylmethanone.

Molecular Properties

Compound Name(3-benzoyl-2-methylidene-1,3-diazinan-1-yl)-phenylmethanone
PubChem CID101497128
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name(3-benzoyl-2-methylidene-1,3-diazinan-1-yl)-phenylmethanone
SMILESC=C1N(C(=O)c2ccccc2)CCCN1C(=O)c1ccccc1
InChIInChI=1S/C19H18N2O2/c1-15-20(18(22)16-9-4-2-5-10-16)13-8-14-21(15)19(23)17-11-6-3-7-12-17/h2-7,9-12H,1,8,13-14H2
InChIKeyYRTGHCIHKJPTJQ-UHFFFAOYSA-N
XLogP3.15
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-phenylmethanone
CID 15267724
1-(4-benzoyl-1,4-diazepan-1-yl)ethanone
CID 44603157
phenyl(5,6,7,8-tetrahydrothieno[3,2-b]azepin-4-yl)methanone
CID 140983481
phenyl-(2-phenyl-5,6,7,8-tetrahydro-4H-1,3-diazocin-1-yl)methanone
CID 132934484
3-benzoyl-1,3-oxazolidin-4-one
CID 70346533
(7-hydroxy-3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-phenylmethanone
CID 68648934
(3R)-1-benzoyl-3-fluoro-3-prop-2-enylpiperidin-2-one
CID 53495123
(3S)-1-benzoyl-3-methyl-3-prop-2-enylpiperidin-2-one
CID 53495094
[(1S,5R)-7-benzoyl-6,7-diazabicyclo[3.2.2]non-8-en-6-yl]-phenylmethanone
CID 10314708
benzoic acid;ethene
CID 160765727
[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-phenylmethanone
CID 114335708
(4-hydroxy-4-phenyl-2,3,5,6,7,8-hexahydroquinolin-1-yl)-phenylmethanone
CID 20980758

Frequently Asked Questions

What is the IUPAC name of (3-benzoyl-2-methylidene-1,3-diazinan-1-yl)-phenylmethanone?
The IUPAC name of (3-benzoyl-2-methylidene-1,3-diazinan-1-yl)-phenylmethanone (CID 101497128) is (3-benzoyl-2-methylidene-1,3-diazinan-1-yl)-phenylmethanone.
What is the SMILES notation for (3-benzoyl-2-methylidene-1,3-diazinan-1-yl)-phenylmethanone?
The canonical SMILES for (3-benzoyl-2-methylidene-1,3-diazinan-1-yl)-phenylmethanone is C=C1N(C(=O)c2ccccc2)CCCN1C(=O)c1ccccc1.
What is the InChIKey of (3-benzoyl-2-methylidene-1,3-diazinan-1-yl)-phenylmethanone?
The InChIKey is YRTGHCIHKJPTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-15-20(18(22)16-9-4-2-5-10-16)13-8-14-21(15)19(23)17-11-6-3-7-12-17/h2-7,9-12H,1,8,13-14H2.
What are the key properties of (3-benzoyl-2-methylidene-1,3-diazinan-1-yl)-phenylmethanone?
(3-benzoyl-2-methylidene-1,3-diazinan-1-yl)-phenylmethanone has a molecular weight of 306.37 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-benzoyl-2-methylidene-1,3-diazinan-1-yl)-phenylmethanone is sourced from PubChem (CID 101497128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).