[(1S,4R)-4-(aminomethyl)cyclopent-2-en-1-yl]methyl acetate

C9H15NO2 — CID 10877544

IUPAC[(1S,4R)-4-(aminomethyl)cyclopent-2-en-1-yl]methyl acetate
SMILESCC(=O)OC[C@@H]1C=C[C@H](CN)C1
InChIInChI=1S/C9H15NO2/c1-7(11)12-6-9-3-2-8(4-9)5-10/h2-3,8-9H,4-6,10H2,1H3/t8-,9+/m0/s1
InChIKeyXNVQYTREKQJAQK-DTWKUNHWSA-N
MW169.22 g/mol
LogP0.70
Rot. Bonds3

About [(1S,4R)-4-(aminomethyl)cyclopent-2-en-1-yl]methyl acetate

[(1S,4R)-4-(aminomethyl)cyclopent-2-en-1-yl]methyl acetate (PubChem CID 10877544) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is [(1S,4R)-4-(aminomethyl)cyclopent-2-en-1-yl]methyl acetate.

Molecular Properties

Compound Name[(1S,4R)-4-(aminomethyl)cyclopent-2-en-1-yl]methyl acetate
PubChem CID10877544
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name[(1S,4R)-4-(aminomethyl)cyclopent-2-en-1-yl]methyl acetate
SMILESCC(=O)OC[C@@H]1C=C[C@H](CN)C1
InChIInChI=1S/C9H15NO2/c1-7(11)12-6-9-3-2-8(4-9)5-10/h2-3,8-9H,4-6,10H2,1H3/t8-,9+/m0/s1
InChIKeyXNVQYTREKQJAQK-DTWKUNHWSA-N
XLogP0.70
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]methyl acetate
CID 15273291
[(1S,4R)-4-acetamidocyclopent-2-en-1-yl]methyl acetate
CID 10867271
[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]methyl 2-methoxyacetate
CID 11745661
cyclopropylmethyl acetate
CID 538333
azetidin-3-ylmethyl acetate
CID 66592470
[(2Z,4E,6Z,8E)-cyclonona-2,4,6,8-tetraen-1-yl]methyl acetate
CID 121011443
[(2R,3R,4R,6R)-3,4,6-trihydroxyoxan-2-yl]methyl acetate
CID 70946424
[(1S,4R)-4-methoxycarbonyloxycyclopent-2-en-1-yl]methyl methyl carbonate
CID 10955368
[(2S)-4-hydroxyoxetan-2-yl]methyl acetate
CID 67977655
(4-hydroxyoxetan-2-yl)methyl acetate
CID 67977653
[(1S,2S,4S)-7-oxo-2-bicyclo[2.2.1]hept-5-enyl]methyl acetate
CID 121215891
[(2R,3S,4R)-3-acetyloxy-4-cyano-3,4-dihydro-2H-pyran-2-yl]methyl acetate
CID 10399332

Frequently Asked Questions

What is the IUPAC name of [(1S,4R)-4-(aminomethyl)cyclopent-2-en-1-yl]methyl acetate?
The IUPAC name of [(1S,4R)-4-(aminomethyl)cyclopent-2-en-1-yl]methyl acetate (CID 10877544) is [(1S,4R)-4-(aminomethyl)cyclopent-2-en-1-yl]methyl acetate.
What is the SMILES notation for [(1S,4R)-4-(aminomethyl)cyclopent-2-en-1-yl]methyl acetate?
The canonical SMILES for [(1S,4R)-4-(aminomethyl)cyclopent-2-en-1-yl]methyl acetate is CC(=O)OC[C@@H]1C=C[C@H](CN)C1.
What is the InChIKey of [(1S,4R)-4-(aminomethyl)cyclopent-2-en-1-yl]methyl acetate?
The InChIKey is XNVQYTREKQJAQK-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H15NO2/c1-7(11)12-6-9-3-2-8(4-9)5-10/h2-3,8-9H,4-6,10H2,1H3/t8-,9+/m0/s1.
What are the key properties of [(1S,4R)-4-(aminomethyl)cyclopent-2-en-1-yl]methyl acetate?
[(1S,4R)-4-(aminomethyl)cyclopent-2-en-1-yl]methyl acetate has a molecular weight of 169.22 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,4R)-4-(aminomethyl)cyclopent-2-en-1-yl]methyl acetate is sourced from PubChem (CID 10877544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).