(3R)-N-methylbicyclo[3.2.0]hept-1-en-3-amine

C8H13N — CID 146238459

IUPAC(3R)-N-methylbicyclo[3.2.0]hept-1-en-3-amine
SMILESCN[C@H]1C=C2CCC2C1
InChIInChI=1S/C8H13N/c1-9-8-4-6-2-3-7(6)5-8/h4,7-9H,2-3,5H2,1H3/t7?,8-/m0/s1
InChIKeyMLIBZYDVPVKNCR-MQWKRIRWSA-N
MW123.20 g/mol
LogP1.31
Rot. Bonds1

About (3R)-N-methylbicyclo[3.2.0]hept-1-en-3-amine

(3R)-N-methylbicyclo[3.2.0]hept-1-en-3-amine (PubChem CID 146238459) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is (3R)-N-methylbicyclo[3.2.0]hept-1-en-3-amine.

Molecular Properties

Compound Name(3R)-N-methylbicyclo[3.2.0]hept-1-en-3-amine
PubChem CID146238459
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name(3R)-N-methylbicyclo[3.2.0]hept-1-en-3-amine
SMILESCN[C@H]1C=C2CCC2C1
InChIInChI=1S/C8H13N/c1-9-8-4-6-2-3-7(6)5-8/h4,7-9H,2-3,5H2,1H3/t7?,8-/m0/s1
InChIKeyMLIBZYDVPVKNCR-MQWKRIRWSA-N
XLogP1.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 51.31
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 (3R)-N-methylbicyclo[3.2.0]hept-1-en-3-amine?
The IUPAC name of (3R)-N-methylbicyclo[3.2.0]hept-1-en-3-amine (CID 146238459) is (3R)-N-methylbicyclo[3.2.0]hept-1-en-3-amine.
What is the SMILES notation for (3R)-N-methylbicyclo[3.2.0]hept-1-en-3-amine?
The canonical SMILES for (3R)-N-methylbicyclo[3.2.0]hept-1-en-3-amine is CN[C@H]1C=C2CCC2C1.
What is the InChIKey of (3R)-N-methylbicyclo[3.2.0]hept-1-en-3-amine?
The InChIKey is MLIBZYDVPVKNCR-MQWKRIRWSA-N. The full InChI is InChI=1S/C8H13N/c1-9-8-4-6-2-3-7(6)5-8/h4,7-9H,2-3,5H2,1H3/t7?,8-/m0/s1.
What are the key properties of (3R)-N-methylbicyclo[3.2.0]hept-1-en-3-amine?
(3R)-N-methylbicyclo[3.2.0]hept-1-en-3-amine has a molecular weight of 123.20 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-methylbicyclo[3.2.0]hept-1-en-3-amine is sourced from PubChem (CID 146238459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).