(5S)-4-prop-2-enyl-1-azabicyclo[3.2.0]hept-3-en-7-one

C9H11NO — CID 70002240

IUPAC(5S)-4-prop-2-enyl-1-azabicyclo[3.2.0]hept-3-en-7-one
SMILESC=CCC1=CCN2C(=O)C[C@@H]12
InChIInChI=1S/C9H11NO/c1-2-3-7-4-5-10-8(7)6-9(10)11/h2,4,8H,1,3,5-6H2/t8-/m0/s1
InChIKeyDEIPNKXJNUJJEQ-QMMMGPOBSA-N
MW149.19 g/mol
LogP1.10
Rot. Bonds2

About (5S)-4-prop-2-enyl-1-azabicyclo[3.2.0]hept-3-en-7-one

(5S)-4-prop-2-enyl-1-azabicyclo[3.2.0]hept-3-en-7-one (PubChem CID 70002240) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is (5S)-4-prop-2-enyl-1-azabicyclo[3.2.0]hept-3-en-7-one.

Molecular Properties

Compound Name(5S)-4-prop-2-enyl-1-azabicyclo[3.2.0]hept-3-en-7-one
PubChem CID70002240
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name(5S)-4-prop-2-enyl-1-azabicyclo[3.2.0]hept-3-en-7-one
SMILESC=CCC1=CCN2C(=O)C[C@@H]12
InChIInChI=1S/C9H11NO/c1-2-3-7-4-5-10-8(7)6-9(10)11/h2,4,8H,1,3,5-6H2/t8-/m0/s1
InChIKeyDEIPNKXJNUJJEQ-QMMMGPOBSA-N
XLogP1.10
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.10
H-Bond Donors ≤ 50
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 (5S)-4-prop-2-enyl-1-azabicyclo[3.2.0]hept-3-en-7-one?
The IUPAC name of (5S)-4-prop-2-enyl-1-azabicyclo[3.2.0]hept-3-en-7-one (CID 70002240) is (5S)-4-prop-2-enyl-1-azabicyclo[3.2.0]hept-3-en-7-one.
What is the SMILES notation for (5S)-4-prop-2-enyl-1-azabicyclo[3.2.0]hept-3-en-7-one?
The canonical SMILES for (5S)-4-prop-2-enyl-1-azabicyclo[3.2.0]hept-3-en-7-one is C=CCC1=CCN2C(=O)C[C@@H]12.
What is the InChIKey of (5S)-4-prop-2-enyl-1-azabicyclo[3.2.0]hept-3-en-7-one?
The InChIKey is DEIPNKXJNUJJEQ-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H11NO/c1-2-3-7-4-5-10-8(7)6-9(10)11/h2,4,8H,1,3,5-6H2/t8-/m0/s1.
What are the key properties of (5S)-4-prop-2-enyl-1-azabicyclo[3.2.0]hept-3-en-7-one?
(5S)-4-prop-2-enyl-1-azabicyclo[3.2.0]hept-3-en-7-one has a molecular weight of 149.19 g/mol, XLogP of 1.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-4-prop-2-enyl-1-azabicyclo[3.2.0]hept-3-en-7-one is sourced from PubChem (CID 70002240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).