N-[(1-cyclopentyltetrazol-5-yl)methyl]propanamide

C10H17N5O — CID 30295250

IUPACN-[(1-cyclopentyltetrazol-5-yl)methyl]propanamide
SMILESCCC(=O)NCc1nnnn1C1CCCC1
InChIInChI=1S/C10H17N5O/c1-2-10(16)11-7-9-12-13-14-15(9)8-5-3-4-6-8/h8H,2-7H2,1H3,(H,11,16)
InChIKeyTWNDBUUZTSIFCJ-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.81
Rot. Bonds4

About N-[(1-cyclopentyltetrazol-5-yl)methyl]propanamide

N-[(1-cyclopentyltetrazol-5-yl)methyl]propanamide (PubChem CID 30295250) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is N-[(1-cyclopentyltetrazol-5-yl)methyl]propanamide.

Molecular Properties

Compound NameN-[(1-cyclopentyltetrazol-5-yl)methyl]propanamide
PubChem CID30295250
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC NameN-[(1-cyclopentyltetrazol-5-yl)methyl]propanamide
SMILESCCC(=O)NCc1nnnn1C1CCCC1
InChIInChI=1S/C10H17N5O/c1-2-10(16)11-7-9-12-13-14-15(9)8-5-3-4-6-8/h8H,2-7H2,1H3,(H,11,16)
InChIKeyTWNDBUUZTSIFCJ-UHFFFAOYSA-N
XLogP0.81
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentyltetrazol-5-yl)methyl]propanamide?
The IUPAC name of N-[(1-cyclopentyltetrazol-5-yl)methyl]propanamide (CID 30295250) is N-[(1-cyclopentyltetrazol-5-yl)methyl]propanamide.
What is the SMILES notation for N-[(1-cyclopentyltetrazol-5-yl)methyl]propanamide?
The canonical SMILES for N-[(1-cyclopentyltetrazol-5-yl)methyl]propanamide is CCC(=O)NCc1nnnn1C1CCCC1.
What is the InChIKey of N-[(1-cyclopentyltetrazol-5-yl)methyl]propanamide?
The InChIKey is TWNDBUUZTSIFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c1-2-10(16)11-7-9-12-13-14-15(9)8-5-3-4-6-8/h8H,2-7H2,1H3,(H,11,16).
What are the key properties of N-[(1-cyclopentyltetrazol-5-yl)methyl]propanamide?
N-[(1-cyclopentyltetrazol-5-yl)methyl]propanamide has a molecular weight of 223.28 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentyltetrazol-5-yl)methyl]propanamide is sourced from PubChem (CID 30295250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).