(1S,2S,4S)-bicyclo[2.2.1]hept-5-en-2-amine

C7H11N — CID 12841949

IUPAC(1S,2S,4S)-bicyclo[2.2.1]hept-5-en-2-amine
SMILESN[C@H]1C[C@H]2C=C[C@@H]1C2
InChIInChI=1S/C7H11N/c8-7-4-5-1-2-6(7)3-5/h1-2,5-7H,3-4,8H2/t5-,6+,7-/m0/s1
InChIKeyCYMRDAUUJQRTGL-XVMARJQXSA-N
MW109.17 g/mol
LogP0.91
Rot. Bonds

About (1S,2S,4S)-bicyclo[2.2.1]hept-5-en-2-amine

(1S,2S,4S)-bicyclo[2.2.1]hept-5-en-2-amine (PubChem CID 12841949) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is (1S,2S,4S)-bicyclo[2.2.1]hept-5-en-2-amine.

Molecular Properties

Compound Name(1S,2S,4S)-bicyclo[2.2.1]hept-5-en-2-amine
PubChem CID12841949
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name(1S,2S,4S)-bicyclo[2.2.1]hept-5-en-2-amine
SMILESN[C@H]1C[C@H]2C=C[C@@H]1C2
InChIInChI=1S/C7H11N/c8-7-4-5-1-2-6(7)3-5/h1-2,5-7H,3-4,8H2/t5-,6+,7-/m0/s1
InChIKeyCYMRDAUUJQRTGL-XVMARJQXSA-N
XLogP0.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,4S)-bicyclo[2.2.1]hept-5-en-2-amine?
The IUPAC name of (1S,2S,4S)-bicyclo[2.2.1]hept-5-en-2-amine (CID 12841949) is (1S,2S,4S)-bicyclo[2.2.1]hept-5-en-2-amine.
What is the SMILES notation for (1S,2S,4S)-bicyclo[2.2.1]hept-5-en-2-amine?
The canonical SMILES for (1S,2S,4S)-bicyclo[2.2.1]hept-5-en-2-amine is N[C@H]1C[C@H]2C=C[C@@H]1C2.
What is the InChIKey of (1S,2S,4S)-bicyclo[2.2.1]hept-5-en-2-amine?
The InChIKey is CYMRDAUUJQRTGL-XVMARJQXSA-N. The full InChI is InChI=1S/C7H11N/c8-7-4-5-1-2-6(7)3-5/h1-2,5-7H,3-4,8H2/t5-,6+,7-/m0/s1.
What are the key properties of (1S,2S,4S)-bicyclo[2.2.1]hept-5-en-2-amine?
(1S,2S,4S)-bicyclo[2.2.1]hept-5-en-2-amine has a molecular weight of 109.17 g/mol, XLogP of 0.91, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4S)-bicyclo[2.2.1]hept-5-en-2-amine is sourced from PubChem (CID 12841949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).