4-cyclohexyl-1-[(3S)-3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]butan-1-one

C15H25N5O — CID 164639816

IUPAC4-cyclohexyl-1-[(3S)-3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]butan-1-one
SMILESO=C(CCCC1CCCCC1)N1CC[C@H](c2nn[nH]n2)C1
InChIInChI=1S/C15H25N5O/c21-14(8-4-7-12-5-2-1-3-6-12)20-10-9-13(11-20)15-16-18-19-17-15/h12-13H,1-11H2,(H,16,17,18,19)/t13-/m0/s1
InChIKeyOGDMHKZEWFQJOZ-ZDUSSCGKSA-N
MW291.40 g/mol
LogP2.27
Rot. Bonds5

About 4-cyclohexyl-1-[(3S)-3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]butan-1-one

4-cyclohexyl-1-[(3S)-3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]butan-1-one (PubChem CID 164639816) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is 4-cyclohexyl-1-[(3S)-3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]butan-1-one.

Molecular Properties

Compound Name4-cyclohexyl-1-[(3S)-3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]butan-1-one
PubChem CID164639816
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name4-cyclohexyl-1-[(3S)-3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]butan-1-one
SMILESO=C(CCCC1CCCCC1)N1CC[C@H](c2nn[nH]n2)C1
InChIInChI=1S/C15H25N5O/c21-14(8-4-7-12-5-2-1-3-6-12)20-10-9-13(11-20)15-16-18-19-17-15/h12-13H,1-11H2,(H,16,17,18,19)/t13-/m0/s1
InChIKeyOGDMHKZEWFQJOZ-ZDUSSCGKSA-N
XLogP2.27
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-1-[(3S)-3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]butan-1-one?
The IUPAC name of 4-cyclohexyl-1-[(3S)-3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]butan-1-one (CID 164639816) is 4-cyclohexyl-1-[(3S)-3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]butan-1-one.
What is the SMILES notation for 4-cyclohexyl-1-[(3S)-3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]butan-1-one?
The canonical SMILES for 4-cyclohexyl-1-[(3S)-3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]butan-1-one is O=C(CCCC1CCCCC1)N1CC[C@H](c2nn[nH]n2)C1.
What is the InChIKey of 4-cyclohexyl-1-[(3S)-3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]butan-1-one?
The InChIKey is OGDMHKZEWFQJOZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H25N5O/c21-14(8-4-7-12-5-2-1-3-6-12)20-10-9-13(11-20)15-16-18-19-17-15/h12-13H,1-11H2,(H,16,17,18,19)/t13-/m0/s1.
What are the key properties of 4-cyclohexyl-1-[(3S)-3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]butan-1-one?
4-cyclohexyl-1-[(3S)-3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]butan-1-one has a molecular weight of 291.40 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-1-[(3S)-3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]butan-1-one is sourced from PubChem (CID 164639816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).