N-(2-aminocyclopropyl)-3-methylbut-2-enamide

C8H14N2O — CID 43593908

IUPACN-(2-aminocyclopropyl)-3-methylbut-2-enamide
SMILESCC(C)=CC(=O)NC1CC1N
InChIInChI=1S/C8H14N2O/c1-5(2)3-8(11)10-7-4-6(7)9/h3,6-7H,4,9H2,1-2H3,(H,10,11)
InChIKeyMQHKENJZVKEKIQ-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.17
Rot. Bonds2

About N-(2-aminocyclopropyl)-3-methylbut-2-enamide

N-(2-aminocyclopropyl)-3-methylbut-2-enamide (PubChem CID 43593908) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is N-(2-aminocyclopropyl)-3-methylbut-2-enamide.

Molecular Properties

Compound NameN-(2-aminocyclopropyl)-3-methylbut-2-enamide
PubChem CID43593908
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC NameN-(2-aminocyclopropyl)-3-methylbut-2-enamide
SMILESCC(C)=CC(=O)NC1CC1N
InChIInChI=1S/C8H14N2O/c1-5(2)3-8(11)10-7-4-6(7)9/h3,6-7H,4,9H2,1-2H3,(H,10,11)
InChIKeyMQHKENJZVKEKIQ-UHFFFAOYSA-N
XLogP0.17
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.17
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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Related Compounds

3-methyl-N-(3-methylcyclobutyl)but-2-enamide
CID 126972537
N-(3-bicyclo[3.1.0]hexanyl)-3-methylbut-2-enamide
CID 131196449
3-methyl-N-[4-(methylamino)cyclohexyl]but-2-enamide
CID 79110593
N-(2,3-dimethylcyclopentyl)-3-methylbut-2-enamide
CID 130489498
2-(3-methylbut-2-enoylamino)cyclopentane-1-carboxylic acid
CID 64812260
N-(3-hydroxycyclohexyl)-3-methylbut-2-enamide
CID 130157948
3-methyl-N-(3-methylcyclopentyl)but-2-enamide
CID 130171283
N-cycloheptyl-3-methylbut-2-enamide
CID 51109528
N-(azetidin-3-yl)-3-methylbut-2-enamide
CID 66185588
N-[(1S,2S)-2-butylcyclopentyl]-3-methylbut-2-enamide
CID 95244402
N-[3-(aminomethyl)cyclopentyl]-3-methylbut-2-enamide
CID 130935265
N-(3-fluorocyclopentyl)-3-methylbut-2-enamide
CID 126992672

Frequently Asked Questions

What is the IUPAC name of N-(2-aminocyclopropyl)-3-methylbut-2-enamide?
The IUPAC name of N-(2-aminocyclopropyl)-3-methylbut-2-enamide (CID 43593908) is N-(2-aminocyclopropyl)-3-methylbut-2-enamide.
What is the SMILES notation for N-(2-aminocyclopropyl)-3-methylbut-2-enamide?
The canonical SMILES for N-(2-aminocyclopropyl)-3-methylbut-2-enamide is CC(C)=CC(=O)NC1CC1N.
What is the InChIKey of N-(2-aminocyclopropyl)-3-methylbut-2-enamide?
The InChIKey is MQHKENJZVKEKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-5(2)3-8(11)10-7-4-6(7)9/h3,6-7H,4,9H2,1-2H3,(H,10,11).
What are the key properties of N-(2-aminocyclopropyl)-3-methylbut-2-enamide?
N-(2-aminocyclopropyl)-3-methylbut-2-enamide has a molecular weight of 154.21 g/mol, XLogP of 0.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocyclopropyl)-3-methylbut-2-enamide is sourced from PubChem (CID 43593908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).