N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-2-(tetrazol-1-yl)acetamide

C9H16N6O — CID 104954996

IUPACN-[2-[(2S)-pyrrolidin-2-yl]ethyl]-2-(tetrazol-1-yl)acetamide
SMILESO=C(Cn1cnnn1)NCC[C@@H]1CCCN1
InChIInChI=1S/C9H16N6O/c16-9(6-15-7-12-13-14-15)11-5-3-8-2-1-4-10-8/h7-8,10H,1-6H2,(H,11,16)/t8-/m0/s1
InChIKeyNKOYNQDAZYFUJU-QMMMGPOBSA-N
MW224.27 g/mol
LogP-1.07
Rot. Bonds5

About N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-2-(tetrazol-1-yl)acetamide

N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-2-(tetrazol-1-yl)acetamide (PubChem CID 104954996) has the molecular formula C9H16N6O and a molecular weight of 224.27 g/mol. Its IUPAC name is N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-[(2S)-pyrrolidin-2-yl]ethyl]-2-(tetrazol-1-yl)acetamide
PubChem CID104954996
Molecular FormulaC9H16N6O
Molecular Weight224.27 g/mol
Exact Mass224.14
IUPAC NameN-[2-[(2S)-pyrrolidin-2-yl]ethyl]-2-(tetrazol-1-yl)acetamide
SMILESO=C(Cn1cnnn1)NCC[C@@H]1CCCN1
InChIInChI=1S/C9H16N6O/c16-9(6-15-7-12-13-14-15)11-5-3-8-2-1-4-10-8/h7-8,10H,1-6H2,(H,11,16)/t8-/m0/s1
InChIKeyNKOYNQDAZYFUJU-QMMMGPOBSA-N
XLogP-1.07
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 5-1.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-pyrrolidin-2-ylethyl)-2-(tetrazol-1-yl)acetamide
CID 114793795
N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 104971914
N-[2-[(2S)-pyrrolidin-2-yl]ethyl]propanamide
CID 104955188
2-(3,5-dimethylpyrazol-1-yl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]acetamide
CID 104955365
N-(piperidin-3-ylmethyl)-2-(tetrazol-1-yl)acetamide;hydrochloride
CID 119260132
N-[2-[(2S)-pyrrolidin-2-yl]ethyl]butanamide
CID 104955184
N-(pyrrolidin-2-ylmethyl)-2-(triazol-1-yl)acetamide
CID 81478292
1-ethyl-1-methyl-3-(2-pyrrolidin-2-ylethyl)urea
CID 114794049
N-(2-pyrrolidin-2-ylethyl)pent-4-enamide
CID 114793761
1-ethyl-3-[2-[(2R)-pyrrolidin-2-yl]ethyl]urea
CID 104972281
1,1-diethyl-3-(2-pyrrolidin-2-ylethyl)urea
CID 114794047
3-methyl-N-(2-pyrrolidin-2-ylethyl)butanamide
CID 83619295

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-2-(tetrazol-1-yl)acetamide?
The IUPAC name of N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-2-(tetrazol-1-yl)acetamide (CID 104954996) is N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-2-(tetrazol-1-yl)acetamide is O=C(Cn1cnnn1)NCC[C@@H]1CCCN1.
What is the InChIKey of N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-2-(tetrazol-1-yl)acetamide?
The InChIKey is NKOYNQDAZYFUJU-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H16N6O/c16-9(6-15-7-12-13-14-15)11-5-3-8-2-1-4-10-8/h7-8,10H,1-6H2,(H,11,16)/t8-/m0/s1.
What are the key properties of N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-2-(tetrazol-1-yl)acetamide?
N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-2-(tetrazol-1-yl)acetamide has a molecular weight of 224.27 g/mol, XLogP of -1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 104954996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).