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

C7H10N2O — CID 155748910

IUPAC(5S)-4-(aminomethyl)-1-azabicyclo[3.2.0]hept-2-en-7-one
SMILESNCC1C=CN2C(=O)C[C@@H]12
InChIInChI=1S/C7H10N2O/c8-4-5-1-2-9-6(5)3-7(9)10/h1-2,5-6H,3-4,8H2/t5?,6-/m0/s1
InChIKeyWIFGTWVWXWJLBW-GDVGLLTNSA-N
MW138.17 g/mol
LogP-0.31
Rot. Bonds1

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

(5S)-4-(aminomethyl)-1-azabicyclo[3.2.0]hept-2-en-7-one (PubChem CID 155748910) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is (5S)-4-(aminomethyl)-1-azabicyclo[3.2.0]hept-2-en-7-one.

Molecular Properties

Compound Name(5S)-4-(aminomethyl)-1-azabicyclo[3.2.0]hept-2-en-7-one
PubChem CID155748910
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name(5S)-4-(aminomethyl)-1-azabicyclo[3.2.0]hept-2-en-7-one
SMILESNCC1C=CN2C(=O)C[C@@H]12
InChIInChI=1S/C7H10N2O/c8-4-5-1-2-9-6(5)3-7(9)10/h1-2,5-6H,3-4,8H2/t5?,6-/m0/s1
InChIKeyWIFGTWVWXWJLBW-GDVGLLTNSA-N
XLogP-0.31
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S)-4-(aminomethyl)-1-azabicyclo[3.2.0]hept-2-en-7-one?
The IUPAC name of (5S)-4-(aminomethyl)-1-azabicyclo[3.2.0]hept-2-en-7-one (CID 155748910) is (5S)-4-(aminomethyl)-1-azabicyclo[3.2.0]hept-2-en-7-one.
What is the SMILES notation for (5S)-4-(aminomethyl)-1-azabicyclo[3.2.0]hept-2-en-7-one?
The canonical SMILES for (5S)-4-(aminomethyl)-1-azabicyclo[3.2.0]hept-2-en-7-one is NCC1C=CN2C(=O)C[C@@H]12.
What is the InChIKey of (5S)-4-(aminomethyl)-1-azabicyclo[3.2.0]hept-2-en-7-one?
The InChIKey is WIFGTWVWXWJLBW-GDVGLLTNSA-N. The full InChI is InChI=1S/C7H10N2O/c8-4-5-1-2-9-6(5)3-7(9)10/h1-2,5-6H,3-4,8H2/t5?,6-/m0/s1.
What are the key properties of (5S)-4-(aminomethyl)-1-azabicyclo[3.2.0]hept-2-en-7-one?
(5S)-4-(aminomethyl)-1-azabicyclo[3.2.0]hept-2-en-7-one has a molecular weight of 138.17 g/mol, XLogP of -0.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-4-(aminomethyl)-1-azabicyclo[3.2.0]hept-2-en-7-one is sourced from PubChem (CID 155748910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).