4-(4-tert-butylazepane-1-carbonyl)-1-ethylpyrrolidin-2-one

C17H30N2O2 — CID 102557380

IUPAC4-(4-tert-butylazepane-1-carbonyl)-1-ethylpyrrolidin-2-one
SMILESCCN1CC(C(=O)N2CCCC(C(C)(C)C)CC2)CC1=O
InChIInChI=1S/C17H30N2O2/c1-5-18-12-13(11-15(18)20)16(21)19-9-6-7-14(8-10-19)17(2,3)4/h13-14H,5-12H2,1-4H3
InChIKeyZFMBPWVHCPMGTM-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.53
Rot. Bonds2

About 4-(4-tert-butylazepane-1-carbonyl)-1-ethylpyrrolidin-2-one

4-(4-tert-butylazepane-1-carbonyl)-1-ethylpyrrolidin-2-one (PubChem CID 102557380) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 4-(4-tert-butylazepane-1-carbonyl)-1-ethylpyrrolidin-2-one.

Molecular Properties

Compound Name4-(4-tert-butylazepane-1-carbonyl)-1-ethylpyrrolidin-2-one
PubChem CID102557380
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name4-(4-tert-butylazepane-1-carbonyl)-1-ethylpyrrolidin-2-one
SMILESCCN1CC(C(=O)N2CCCC(C(C)(C)C)CC2)CC1=O
InChIInChI=1S/C17H30N2O2/c1-5-18-12-13(11-15(18)20)16(21)19-9-6-7-14(8-10-19)17(2,3)4/h13-14H,5-12H2,1-4H3
InChIKeyZFMBPWVHCPMGTM-UHFFFAOYSA-N
XLogP2.53
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-Propylazepane-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 56800472
(4R)-4-[(4R)-4-propylazepane-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 94878389
(4R)-4-[(4S)-4-propylazepane-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 95592905
(4S)-4-[(4R)-4-propylazepane-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 95592906
(4S)-4-[(4S)-4-propylazepane-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 95592907
(4R)-4-[(4R)-4-tert-butylazepane-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 99808598
(4R)-4-[(4S)-4-tert-butylazepane-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 99808599
(4S)-4-[(4R)-4-tert-butylazepane-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 99808600
(4S)-4-[(4S)-4-tert-butylazepane-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 99808601
4-(4-Tert-butylazepane-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 102557379
4-(Azepane-1-carbonyl)-1-tert-butylpyrrolidin-2-one
CID 6472884
1-[3-(Dimethylamino)propyl]-3-(2,2-dimethylpropyl)-4-methylpyrrolidine-2,5-dione
CID 20692366

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylazepane-1-carbonyl)-1-ethylpyrrolidin-2-one?
The IUPAC name of 4-(4-tert-butylazepane-1-carbonyl)-1-ethylpyrrolidin-2-one (CID 102557380) is 4-(4-tert-butylazepane-1-carbonyl)-1-ethylpyrrolidin-2-one.
What is the SMILES notation for 4-(4-tert-butylazepane-1-carbonyl)-1-ethylpyrrolidin-2-one?
The canonical SMILES for 4-(4-tert-butylazepane-1-carbonyl)-1-ethylpyrrolidin-2-one is CCN1CC(C(=O)N2CCCC(C(C)(C)C)CC2)CC1=O.
What is the InChIKey of 4-(4-tert-butylazepane-1-carbonyl)-1-ethylpyrrolidin-2-one?
The InChIKey is ZFMBPWVHCPMGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-5-18-12-13(11-15(18)20)16(21)19-9-6-7-14(8-10-19)17(2,3)4/h13-14H,5-12H2,1-4H3.
What are the key properties of 4-(4-tert-butylazepane-1-carbonyl)-1-ethylpyrrolidin-2-one?
4-(4-tert-butylazepane-1-carbonyl)-1-ethylpyrrolidin-2-one has a molecular weight of 294.44 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylazepane-1-carbonyl)-1-ethylpyrrolidin-2-one is sourced from PubChem (CID 102557380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).