N-penta-1,3-dien-2-yl-2-azabicyclo[3.1.0]hexane-3-carboxamide

C11H16N2O — CID 123715320

IUPACN-penta-1,3-dien-2-yl-2-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESC=C(C=CC)NC(=O)C1CC2CC2N1
InChIInChI=1S/C11H16N2O/c1-3-4-7(2)12-11(14)10-6-8-5-9(8)13-10/h3-4,8-10,13H,2,5-6H2,1H3,(H,12,14)
InChIKeyCKRNRHUARRILAX-UHFFFAOYSA-N
MW192.26 g/mol
LogP0.94
Rot. Bonds3

About N-penta-1,3-dien-2-yl-2-azabicyclo[3.1.0]hexane-3-carboxamide

N-penta-1,3-dien-2-yl-2-azabicyclo[3.1.0]hexane-3-carboxamide (PubChem CID 123715320) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is N-penta-1,3-dien-2-yl-2-azabicyclo[3.1.0]hexane-3-carboxamide.

Molecular Properties

Compound NameN-penta-1,3-dien-2-yl-2-azabicyclo[3.1.0]hexane-3-carboxamide
PubChem CID123715320
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC NameN-penta-1,3-dien-2-yl-2-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESC=C(C=CC)NC(=O)C1CC2CC2N1
InChIInChI=1S/C11H16N2O/c1-3-4-7(2)12-11(14)10-6-8-5-9(8)13-10/h3-4,8-10,13H,2,5-6H2,1H3,(H,12,14)
InChIKeyCKRNRHUARRILAX-UHFFFAOYSA-N
XLogP0.94
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 ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-fluoropenta-1,3-dien-3-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 123654014
N-but-2-en-2-yl-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 123262766
(6S)-N-(2-aminobenzene-4-id-1-yl)-5-methyl-5-azaspiro[2.4]heptane-6-carboxamide;bohrium
CID 146901157
(1S,3S,5S)-N-but-3-en-2-yl-2-azabicyclo[3.1.0]hexane-3-carboxamide;hydrochloride
CID 130758013
(1S,3S,5S)-N-but-3-en-2-yl-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 130758014
(1R,3S,5R)-N-but-3-en-2-yl-2-azabicyclo[3.1.0]hexane-3-carboxamide;hydrochloride
CID 131019612
(1R,3S,5R)-N-but-3-en-2-yl-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 131019613

Frequently Asked Questions

What is the IUPAC name of N-penta-1,3-dien-2-yl-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The IUPAC name of N-penta-1,3-dien-2-yl-2-azabicyclo[3.1.0]hexane-3-carboxamide (CID 123715320) is N-penta-1,3-dien-2-yl-2-azabicyclo[3.1.0]hexane-3-carboxamide.
What is the SMILES notation for N-penta-1,3-dien-2-yl-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The canonical SMILES for N-penta-1,3-dien-2-yl-2-azabicyclo[3.1.0]hexane-3-carboxamide is C=C(C=CC)NC(=O)C1CC2CC2N1.
What is the InChIKey of N-penta-1,3-dien-2-yl-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The InChIKey is CKRNRHUARRILAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-3-4-7(2)12-11(14)10-6-8-5-9(8)13-10/h3-4,8-10,13H,2,5-6H2,1H3,(H,12,14).
What are the key properties of N-penta-1,3-dien-2-yl-2-azabicyclo[3.1.0]hexane-3-carboxamide?
N-penta-1,3-dien-2-yl-2-azabicyclo[3.1.0]hexane-3-carboxamide has a molecular weight of 192.26 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-penta-1,3-dien-2-yl-2-azabicyclo[3.1.0]hexane-3-carboxamide is sourced from PubChem (CID 123715320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).