N,N-dimethylformamide;1,3-dimethyl-3,4,5,6-tetrahydrochrysene;1-methylpyrrolidin-2-one

C28H36N2O2 — CID 174889360

IUPACN,N-dimethylformamide;1,3-dimethyl-3,4,5,6-tetrahydrochrysene;1-methylpyrrolidin-2-one
SMILESCC1=CC(C)Cc2c1ccc1c2CCc2ccccc2-1.CN(C)C=O.CN1CCCC1=O
InChIInChI=1S/C20H20.C5H9NO.C3H7NO/c1-13-11-14(2)16-9-10-18-17-6-4-3-5-15(17)7-8-19(18)20(16)12-13;1-6-4-2-3-5(6)7;1-4(2)3-5/h3-6,9-11,13H,7-8,12H2,1-2H3;2-4H2,1H3;3H,1-2H3
InChIKeyIPDWTMXVPWIUDQ-UHFFFAOYSA-N
MW432.61 g/mol
LogP4.99
Rot. Bonds1

About N,N-dimethylformamide;1,3-dimethyl-3,4,5,6-tetrahydrochrysene;1-methylpyrrolidin-2-one

N,N-dimethylformamide;1,3-dimethyl-3,4,5,6-tetrahydrochrysene;1-methylpyrrolidin-2-one (PubChem CID 174889360) has the molecular formula C28H36N2O2 and a molecular weight of 432.61 g/mol. Its IUPAC name is N,N-dimethylformamide;1,3-dimethyl-3,4,5,6-tetrahydrochrysene;1-methylpyrrolidin-2-one.

Molecular Properties

Compound NameN,N-dimethylformamide;1,3-dimethyl-3,4,5,6-tetrahydrochrysene;1-methylpyrrolidin-2-one
PubChem CID174889360
Molecular FormulaC28H36N2O2
Molecular Weight432.61 g/mol
Exact Mass432.28
IUPAC NameN,N-dimethylformamide;1,3-dimethyl-3,4,5,6-tetrahydrochrysene;1-methylpyrrolidin-2-one
SMILESCC1=CC(C)Cc2c1ccc1c2CCc2ccccc2-1.CN(C)C=O.CN1CCCC1=O
InChIInChI=1S/C20H20.C5H9NO.C3H7NO/c1-13-11-14(2)16-9-10-18-17-6-4-3-5-15(17)7-8-19(18)20(16)12-13;1-6-4-2-3-5(6)7;1-4(2)3-5/h3-6,9-11,13H,7-8,12H2,1-2H3;2-4H2,1H3;3H,1-2H3
InChIKeyIPDWTMXVPWIUDQ-UHFFFAOYSA-N
XLogP4.99
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.61
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2,2,2-trifluoro-N-(1-methyl-3,4,5,6-tetrahydrochrysen-3-yl)acetamide
CID 174320988
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CID 14148821
1,3-dimethyl-1,2,3,4,5,6-hexahydrochrysene
CID 174809255
CID 174856842
CID 174856842
methanethiol;1-methylpyrrolidin-2-one
CID 174894965
1,2,3-trimethyl-1,4,5,6-tetrahydrochrysene
CID 174829865
1-(2-oxopyrrolidin-1-yl)-3,4-dihydronaphthalene-2-carbaldehyde
CID 102088796
1-methylpiperidine;1-methylpyrrolidin-2-one
CID 18416662
8-methyl-8-azatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,13,15-hexaen-9-one
CID 46930002
2-(2-phenylethenyl)-1,2,3,4,5,6-hexahydrochrysene
CID 174446313
N-cyclohexyl-N-methylcyclohexanamine;1-methylpyrrolidin-2-one
CID 131739968
1-methylpyrrolidin-2-one;1,8-naphthyridine
CID 67888040

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylformamide;1,3-dimethyl-3,4,5,6-tetrahydrochrysene;1-methylpyrrolidin-2-one?
The IUPAC name of N,N-dimethylformamide;1,3-dimethyl-3,4,5,6-tetrahydrochrysene;1-methylpyrrolidin-2-one (CID 174889360) is N,N-dimethylformamide;1,3-dimethyl-3,4,5,6-tetrahydrochrysene;1-methylpyrrolidin-2-one.
What is the SMILES notation for N,N-dimethylformamide;1,3-dimethyl-3,4,5,6-tetrahydrochrysene;1-methylpyrrolidin-2-one?
The canonical SMILES for N,N-dimethylformamide;1,3-dimethyl-3,4,5,6-tetrahydrochrysene;1-methylpyrrolidin-2-one is CC1=CC(C)Cc2c1ccc1c2CCc2ccccc2-1.CN(C)C=O.CN1CCCC1=O.
What is the InChIKey of N,N-dimethylformamide;1,3-dimethyl-3,4,5,6-tetrahydrochrysene;1-methylpyrrolidin-2-one?
The InChIKey is IPDWTMXVPWIUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20.C5H9NO.C3H7NO/c1-13-11-14(2)16-9-10-18-17-6-4-3-5-15(17)7-8-19(18)20(16)12-13;1-6-4-2-3-5(6)7;1-4(2)3-5/h3-6,9-11,13H,7-8,12H2,1-2H3;2-4H2,1H3;3H,1-2H3.
What are the key properties of N,N-dimethylformamide;1,3-dimethyl-3,4,5,6-tetrahydrochrysene;1-methylpyrrolidin-2-one?
N,N-dimethylformamide;1,3-dimethyl-3,4,5,6-tetrahydrochrysene;1-methylpyrrolidin-2-one has a molecular weight of 432.61 g/mol, XLogP of 4.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylformamide;1,3-dimethyl-3,4,5,6-tetrahydrochrysene;1-methylpyrrolidin-2-one is sourced from PubChem (CID 174889360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).