(E)-N-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-cyclopropylprop-2-enamide

C11H16N2O — CID 131237415

IUPAC(E)-N-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-cyclopropylprop-2-enamide
SMILESO=C(/C=C/C1CC1)NC1[C@H]2CNC[C@@H]12
InChIInChI=1S/C11H16N2O/c14-10(4-3-7-1-2-7)13-11-8-5-12-6-9(8)11/h3-4,7-9,11-12H,1-2,5-6H2,(H,13,14)/b4-3+/t8-,9+,11?
InChIKeyQYEMCUSRPIRXKD-PEGTWCMNSA-N
MW192.26 g/mol
LogP0.29
Rot. Bonds3

About (E)-N-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-cyclopropylprop-2-enamide

(E)-N-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-cyclopropylprop-2-enamide (PubChem CID 131237415) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is (E)-N-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-cyclopropylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-cyclopropylprop-2-enamide
PubChem CID131237415
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name(E)-N-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-cyclopropylprop-2-enamide
SMILESO=C(/C=C/C1CC1)NC1[C@H]2CNC[C@@H]12
InChIInChI=1S/C11H16N2O/c14-10(4-3-7-1-2-7)13-11-8-5-12-6-9(8)11/h3-4,7-9,11-12H,1-2,5-6H2,(H,13,14)/b4-3+/t8-,9+,11?
InChIKeyQYEMCUSRPIRXKD-PEGTWCMNSA-N
XLogP0.29
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-cyclopropylprop-2-enamide?
The IUPAC name of (E)-N-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-cyclopropylprop-2-enamide (CID 131237415) is (E)-N-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-cyclopropylprop-2-enamide.
What is the SMILES notation for (E)-N-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-cyclopropylprop-2-enamide?
The canonical SMILES for (E)-N-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-cyclopropylprop-2-enamide is O=C(/C=C/C1CC1)NC1[C@H]2CNC[C@@H]12.
What is the InChIKey of (E)-N-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-cyclopropylprop-2-enamide?
The InChIKey is QYEMCUSRPIRXKD-PEGTWCMNSA-N. The full InChI is InChI=1S/C11H16N2O/c14-10(4-3-7-1-2-7)13-11-8-5-12-6-9(8)11/h3-4,7-9,11-12H,1-2,5-6H2,(H,13,14)/b4-3+/t8-,9+,11?.
What are the key properties of (E)-N-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-cyclopropylprop-2-enamide?
(E)-N-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-cyclopropylprop-2-enamide has a molecular weight of 192.26 g/mol, XLogP of 0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-cyclopropylprop-2-enamide is sourced from PubChem (CID 131237415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).