cyclobutyl-[(3S)-3-(1-cyclopentyltetrazol-5-yl)-3-(diethylamino)pyrrolidin-1-yl]methanone

C19H32N6O — CID 164631162

IUPACcyclobutyl-[(3S)-3-(1-cyclopentyltetrazol-5-yl)-3-(diethylamino)pyrrolidin-1-yl]methanone
SMILESCCN(CC)[C@@]1(c2nnnn2C2CCCC2)CCN(C(=O)C2CCC2)C1
InChIInChI=1S/C19H32N6O/c1-3-24(4-2)19(12-13-23(14-19)17(26)15-8-7-9-15)18-20-21-22-25(18)16-10-5-6-11-16/h15-16H,3-14H2,1-2H3/t19-/m0/s1
InChIKeyFUVODRXQBOHIEW-IBGZPJMESA-N
MW360.51 g/mol
LogP2.36
Rot. Bonds6

About cyclobutyl-[(3S)-3-(1-cyclopentyltetrazol-5-yl)-3-(diethylamino)pyrrolidin-1-yl]methanone

cyclobutyl-[(3S)-3-(1-cyclopentyltetrazol-5-yl)-3-(diethylamino)pyrrolidin-1-yl]methanone (PubChem CID 164631162) has the molecular formula C19H32N6O and a molecular weight of 360.51 g/mol. Its IUPAC name is cyclobutyl-[(3S)-3-(1-cyclopentyltetrazol-5-yl)-3-(diethylamino)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[(3S)-3-(1-cyclopentyltetrazol-5-yl)-3-(diethylamino)pyrrolidin-1-yl]methanone
PubChem CID164631162
Molecular FormulaC19H32N6O
Molecular Weight360.51 g/mol
Exact Mass360.26
IUPAC Namecyclobutyl-[(3S)-3-(1-cyclopentyltetrazol-5-yl)-3-(diethylamino)pyrrolidin-1-yl]methanone
SMILESCCN(CC)[C@@]1(c2nnnn2C2CCCC2)CCN(C(=O)C2CCC2)C1
InChIInChI=1S/C19H32N6O/c1-3-24(4-2)19(12-13-23(14-19)17(26)15-8-7-9-15)18-20-21-22-25(18)16-10-5-6-11-16/h15-16H,3-14H2,1-2H3/t19-/m0/s1
InChIKeyFUVODRXQBOHIEW-IBGZPJMESA-N
XLogP2.36
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.51
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[(3S)-3-(1-cyclopentyltetrazol-5-yl)-3-(diethylamino)pyrrolidin-1-yl]methanone?
The IUPAC name of cyclobutyl-[(3S)-3-(1-cyclopentyltetrazol-5-yl)-3-(diethylamino)pyrrolidin-1-yl]methanone (CID 164631162) is cyclobutyl-[(3S)-3-(1-cyclopentyltetrazol-5-yl)-3-(diethylamino)pyrrolidin-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[(3S)-3-(1-cyclopentyltetrazol-5-yl)-3-(diethylamino)pyrrolidin-1-yl]methanone?
The canonical SMILES for cyclobutyl-[(3S)-3-(1-cyclopentyltetrazol-5-yl)-3-(diethylamino)pyrrolidin-1-yl]methanone is CCN(CC)[C@@]1(c2nnnn2C2CCCC2)CCN(C(=O)C2CCC2)C1.
What is the InChIKey of cyclobutyl-[(3S)-3-(1-cyclopentyltetrazol-5-yl)-3-(diethylamino)pyrrolidin-1-yl]methanone?
The InChIKey is FUVODRXQBOHIEW-IBGZPJMESA-N. The full InChI is InChI=1S/C19H32N6O/c1-3-24(4-2)19(12-13-23(14-19)17(26)15-8-7-9-15)18-20-21-22-25(18)16-10-5-6-11-16/h15-16H,3-14H2,1-2H3/t19-/m0/s1.
What are the key properties of cyclobutyl-[(3S)-3-(1-cyclopentyltetrazol-5-yl)-3-(diethylamino)pyrrolidin-1-yl]methanone?
cyclobutyl-[(3S)-3-(1-cyclopentyltetrazol-5-yl)-3-(diethylamino)pyrrolidin-1-yl]methanone has a molecular weight of 360.51 g/mol, XLogP of 2.36, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[(3S)-3-(1-cyclopentyltetrazol-5-yl)-3-(diethylamino)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 164631162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).