[(1S)-1,3-dihydrocyclopenta[c]pyran-1-yl]methanamine

C9H11NO — CID 124668628

IUPAC[(1S)-1,3-dihydrocyclopenta[c]pyran-1-yl]methanamine
SMILESNC[C@H]1OCC=C2C=CC=C21
InChIInChI=1S/C9H11NO/c10-6-9-8-3-1-2-7(8)4-5-11-9/h1-4,9H,5-6,10H2/t9-/m1/s1
InChIKeyVHDIPFVOYJJMIX-SECBINFHSA-N
MW149.19 g/mol
LogP0.77
Rot. Bonds1

About [(1S)-1,3-dihydrocyclopenta[c]pyran-1-yl]methanamine

[(1S)-1,3-dihydrocyclopenta[c]pyran-1-yl]methanamine (PubChem CID 124668628) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is [(1S)-1,3-dihydrocyclopenta[c]pyran-1-yl]methanamine.

Molecular Properties

Compound Name[(1S)-1,3-dihydrocyclopenta[c]pyran-1-yl]methanamine
PubChem CID124668628
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name[(1S)-1,3-dihydrocyclopenta[c]pyran-1-yl]methanamine
SMILESNC[C@H]1OCC=C2C=CC=C21
InChIInChI=1S/C9H11NO/c10-6-9-8-3-1-2-7(8)4-5-11-9/h1-4,9H,5-6,10H2/t9-/m1/s1
InChIKeyVHDIPFVOYJJMIX-SECBINFHSA-N
XLogP0.77
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1S)-1,3-dihydrocyclopenta[c]pyran-1-yl]methanamine?
The IUPAC name of [(1S)-1,3-dihydrocyclopenta[c]pyran-1-yl]methanamine (CID 124668628) is [(1S)-1,3-dihydrocyclopenta[c]pyran-1-yl]methanamine.
What is the SMILES notation for [(1S)-1,3-dihydrocyclopenta[c]pyran-1-yl]methanamine?
The canonical SMILES for [(1S)-1,3-dihydrocyclopenta[c]pyran-1-yl]methanamine is NC[C@H]1OCC=C2C=CC=C21.
What is the InChIKey of [(1S)-1,3-dihydrocyclopenta[c]pyran-1-yl]methanamine?
The InChIKey is VHDIPFVOYJJMIX-SECBINFHSA-N. The full InChI is InChI=1S/C9H11NO/c10-6-9-8-3-1-2-7(8)4-5-11-9/h1-4,9H,5-6,10H2/t9-/m1/s1.
What are the key properties of [(1S)-1,3-dihydrocyclopenta[c]pyran-1-yl]methanamine?
[(1S)-1,3-dihydrocyclopenta[c]pyran-1-yl]methanamine has a molecular weight of 149.19 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1,3-dihydrocyclopenta[c]pyran-1-yl]methanamine is sourced from PubChem (CID 124668628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).