5-(1-butyltetrazol-5-yl)-5-methyl-1-(3-morpholin-4-ylpropyl)pyrrolidin-2-one

C17H30N6O2 — CID 53300810

IUPAC5-(1-butyltetrazol-5-yl)-5-methyl-1-(3-morpholin-4-ylpropyl)pyrrolidin-2-one
SMILESCCCCn1nnnc1C1(C)CCC(=O)N1CCCN1CCOCC1
InChIInChI=1S/C17H30N6O2/c1-3-4-10-23-16(18-19-20-23)17(2)7-6-15(24)22(17)9-5-8-21-11-13-25-14-12-21/h3-14H2,1-2H3
InChIKeyVFBBZGPLUIQZLF-UHFFFAOYSA-N
MW350.47 g/mol
LogP1.03
Rot. Bonds8

About 5-(1-butyltetrazol-5-yl)-5-methyl-1-(3-morpholin-4-ylpropyl)pyrrolidin-2-one

5-(1-butyltetrazol-5-yl)-5-methyl-1-(3-morpholin-4-ylpropyl)pyrrolidin-2-one (PubChem CID 53300810) has the molecular formula C17H30N6O2 and a molecular weight of 350.47 g/mol. Its IUPAC name is 5-(1-butyltetrazol-5-yl)-5-methyl-1-(3-morpholin-4-ylpropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-(1-butyltetrazol-5-yl)-5-methyl-1-(3-morpholin-4-ylpropyl)pyrrolidin-2-one
PubChem CID53300810
Molecular FormulaC17H30N6O2
Molecular Weight350.47 g/mol
Exact Mass350.24
IUPAC Name5-(1-butyltetrazol-5-yl)-5-methyl-1-(3-morpholin-4-ylpropyl)pyrrolidin-2-one
SMILESCCCCn1nnnc1C1(C)CCC(=O)N1CCCN1CCOCC1
InChIInChI=1S/C17H30N6O2/c1-3-4-10-23-16(18-19-20-23)17(2)7-6-15(24)22(17)9-5-8-21-11-13-25-14-12-21/h3-14H2,1-2H3
InChIKeyVFBBZGPLUIQZLF-UHFFFAOYSA-N
XLogP1.03
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(oxolan-3-yl)butanamide
CID 24793941
N,N-diethyl-1-{3-[5-(4-morpholinylmethyl)-1H-tetrazol-1-yl]propanoyl}-3-pyrrolidinamine
CID 24791608
N,N-diethyl-1-[3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propanoyl]piperidine-3-carboxamide
CID 24817533
5-(1-Butyltetrazol-5-yl)-1-(2-methoxyethyl)-5-methylpyrrolidin-2-one
CID 53300806
1-[(3S)-3-(dimethylamino)-3-[1-(3-methylbutyl)tetrazol-5-yl]piperidin-1-yl]-2-morpholin-4-ylethanone
CID 164635099
N,N-diethyl-1-{4-[5-(4-morpholinylmethyl)-1H-tetrazol-1-yl]butanoyl}-3-pyrrolidinamine
CID 45216481
N-methyl-N-[[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butanamide
CID 28100649
N-methyl-N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butanamide
CID 28100651
1-[(3R)-3-(diethylamino)pyrrolidin-1-yl]-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butan-1-one
CID 28101814
1-[(3S)-3-(diethylamino)pyrrolidin-1-yl]-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butan-1-one
CID 28101817
N-ethyl-4-[5-(4-morpholinylmethyl)-1H-tetrazol-1-yl]-N-[2-(1-pyrrolidinyl)ethyl]butanamide
CID 31016554
N-[(1-isobutyl-3-pyrrolidinyl)methyl]-N-methyl-4-[5-(4-morpholinylmethyl)-1H-tetrazol-1-yl]butanamide
CID 45215543

Frequently Asked Questions

What is the IUPAC name of 5-(1-butyltetrazol-5-yl)-5-methyl-1-(3-morpholin-4-ylpropyl)pyrrolidin-2-one?
The IUPAC name of 5-(1-butyltetrazol-5-yl)-5-methyl-1-(3-morpholin-4-ylpropyl)pyrrolidin-2-one (CID 53300810) is 5-(1-butyltetrazol-5-yl)-5-methyl-1-(3-morpholin-4-ylpropyl)pyrrolidin-2-one.
What is the SMILES notation for 5-(1-butyltetrazol-5-yl)-5-methyl-1-(3-morpholin-4-ylpropyl)pyrrolidin-2-one?
The canonical SMILES for 5-(1-butyltetrazol-5-yl)-5-methyl-1-(3-morpholin-4-ylpropyl)pyrrolidin-2-one is CCCCn1nnnc1C1(C)CCC(=O)N1CCCN1CCOCC1.
What is the InChIKey of 5-(1-butyltetrazol-5-yl)-5-methyl-1-(3-morpholin-4-ylpropyl)pyrrolidin-2-one?
The InChIKey is VFBBZGPLUIQZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N6O2/c1-3-4-10-23-16(18-19-20-23)17(2)7-6-15(24)22(17)9-5-8-21-11-13-25-14-12-21/h3-14H2,1-2H3.
What are the key properties of 5-(1-butyltetrazol-5-yl)-5-methyl-1-(3-morpholin-4-ylpropyl)pyrrolidin-2-one?
5-(1-butyltetrazol-5-yl)-5-methyl-1-(3-morpholin-4-ylpropyl)pyrrolidin-2-one has a molecular weight of 350.47 g/mol, XLogP of 1.03, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-butyltetrazol-5-yl)-5-methyl-1-(3-morpholin-4-ylpropyl)pyrrolidin-2-one is sourced from PubChem (CID 53300810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).