N-(3-methyl-2-methylidenebut-3-enyl)prop-2-enamide

C9H13NO — CID 89005604

IUPACN-(3-methyl-2-methylidenebut-3-enyl)prop-2-enamide
SMILESC=CC(=O)NCC(=C)C(=C)C
InChIInChI=1S/C9H13NO/c1-5-9(11)10-6-8(4)7(2)3/h5H,1-2,4,6H2,3H3,(H,10,11)
InChIKeyKSJINUAALSDDSD-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.42
Rot. Bonds4

About N-(3-methyl-2-methylidenebut-3-enyl)prop-2-enamide

N-(3-methyl-2-methylidenebut-3-enyl)prop-2-enamide (PubChem CID 89005604) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is N-(3-methyl-2-methylidenebut-3-enyl)prop-2-enamide.

Molecular Properties

Compound NameN-(3-methyl-2-methylidenebut-3-enyl)prop-2-enamide
PubChem CID89005604
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC NameN-(3-methyl-2-methylidenebut-3-enyl)prop-2-enamide
SMILESC=CC(=O)NCC(=C)C(=C)C
InChIInChI=1S/C9H13NO/c1-5-9(11)10-6-8(4)7(2)3/h5H,1-2,4,6H2,3H3,(H,10,11)
InChIKeyKSJINUAALSDDSD-UHFFFAOYSA-N
XLogP1.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[(prop-2-enoylamino)methyl]prop-2-enamide
CID 87325841
ethene;N-(hydroxymethyl)prop-2-enamide
CID 88605914
N-(3,3-dimethyl-2-oxobutyl)prop-2-enamide
CID 89037508
N-(4-methyl-2-methylidenepentyl)prop-2-enamide
CID 57407652
N-[(3E,5Z)-2-methylimino-3-prop-1-en-2-ylhepta-3,5-dienyl]prop-2-enamide
CID 168906180
N-ethylprop-2-enamide;N-methylprop-2-enamide;2-methylprop-1-ene
CID 91512805
CID 173161904
CID 173161904
ethane;N-prop-2-enylprop-2-enamide
CID 142535548
N-ethylprop-2-enamide;N-methylmethanamine
CID 22381553
N-(hydroxymethyl)prop-2-enamide;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 158465618
dimethyl-(2-methylprop-2-enoyloxy)-[(prop-2-enoylamino)methyl]azanium
CID 139672556
N-(hydroxymethyl)prop-2-enamide;2-isocyanatoethyl 2-methylprop-2-enoate
CID 88605644

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-methylidenebut-3-enyl)prop-2-enamide?
The IUPAC name of N-(3-methyl-2-methylidenebut-3-enyl)prop-2-enamide (CID 89005604) is N-(3-methyl-2-methylidenebut-3-enyl)prop-2-enamide.
What is the SMILES notation for N-(3-methyl-2-methylidenebut-3-enyl)prop-2-enamide?
The canonical SMILES for N-(3-methyl-2-methylidenebut-3-enyl)prop-2-enamide is C=CC(=O)NCC(=C)C(=C)C.
What is the InChIKey of N-(3-methyl-2-methylidenebut-3-enyl)prop-2-enamide?
The InChIKey is KSJINUAALSDDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-5-9(11)10-6-8(4)7(2)3/h5H,1-2,4,6H2,3H3,(H,10,11).
What are the key properties of N-(3-methyl-2-methylidenebut-3-enyl)prop-2-enamide?
N-(3-methyl-2-methylidenebut-3-enyl)prop-2-enamide has a molecular weight of 151.21 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-methylidenebut-3-enyl)prop-2-enamide is sourced from PubChem (CID 89005604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).