N-[(Z)-3-(ethenyliminomethyl)pent-3-enyl]-3-methylbut-3-enamide

C13H20N2O — CID 144603700

IUPACN-[(Z)-3-(ethenyliminomethyl)pent-3-enyl]-3-methylbut-3-enamide
SMILESC=C/N=C/C(=C\C)CCNC(=O)CC(=C)C
InChIInChI=1S/C13H20N2O/c1-5-12(10-14-6-2)7-8-15-13(16)9-11(3)4/h5-6,10H,2-3,7-9H2,1,4H3,(H,15,16)/b12-5-,14-10+
InChIKeyVKHHZDHCQLMQGC-IVNBMTEESA-N
MW220.32 g/mol
LogP2.62
Rot. Bonds7

About N-[(Z)-3-(ethenyliminomethyl)pent-3-enyl]-3-methylbut-3-enamide

N-[(Z)-3-(ethenyliminomethyl)pent-3-enyl]-3-methylbut-3-enamide (PubChem CID 144603700) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N-[(Z)-3-(ethenyliminomethyl)pent-3-enyl]-3-methylbut-3-enamide.

Molecular Properties

Compound NameN-[(Z)-3-(ethenyliminomethyl)pent-3-enyl]-3-methylbut-3-enamide
PubChem CID144603700
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN-[(Z)-3-(ethenyliminomethyl)pent-3-enyl]-3-methylbut-3-enamide
SMILESC=C/N=C/C(=C\C)CCNC(=O)CC(=C)C
InChIInChI=1S/C13H20N2O/c1-5-12(10-14-6-2)7-8-15-13(16)9-11(3)4/h5-6,10H,2-3,7-9H2,1,4H3,(H,15,16)/b12-5-,14-10+
InChIKeyVKHHZDHCQLMQGC-IVNBMTEESA-N
XLogP2.62
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-methyl-3,8a-dihydro-2H-2,6-naphthyridin-1-one
CID 123271470
N-[(Z)-2-(ethenyliminomethyl)but-2-enyl]propanamide
CID 134406094
ethane;N-[3-(ethenyliminomethyl)but-3-enyl]acetamide
CID 142506758
N-(3H-azepin-4-ylmethyl)acetamide
CID 143108270
N-[(E)-2-ethyl-4-methyliminobut-2-enyl]acetamide
CID 143514853
ethane;N-[(Z)-3-(ethenyliminomethyl)pent-3-enyl]-2,2-dimethylpropanamide
CID 143529169
N-[2-(3H-azepin-4-yl)ethyl]-2,2-dimethylpropanamide;ethane
CID 143529180
N-[(2E,4Z)-2-ethyl-3-methyl-5-(methylideneamino)penta-2,4-dienyl]propanamide
CID 146416723
N-(3-methylbutyl)-4H-azepine-5-carboxamide
CID 156733129
2,2-dimethyl-N-[2-(2H-pyrrol-4-yl)ethyl]propanamide
CID 169873603
carbanide;lawrencium;N-propan-2-yl-2-(3H-pyridin-3-id-4-yl)acetamide
CID 170581096
3-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-1H-pyridin-2-one;ethane
CID 171101140

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-(ethenyliminomethyl)pent-3-enyl]-3-methylbut-3-enamide?
The IUPAC name of N-[(Z)-3-(ethenyliminomethyl)pent-3-enyl]-3-methylbut-3-enamide (CID 144603700) is N-[(Z)-3-(ethenyliminomethyl)pent-3-enyl]-3-methylbut-3-enamide.
What is the SMILES notation for N-[(Z)-3-(ethenyliminomethyl)pent-3-enyl]-3-methylbut-3-enamide?
The canonical SMILES for N-[(Z)-3-(ethenyliminomethyl)pent-3-enyl]-3-methylbut-3-enamide is C=C/N=C/C(=C\C)CCNC(=O)CC(=C)C.
What is the InChIKey of N-[(Z)-3-(ethenyliminomethyl)pent-3-enyl]-3-methylbut-3-enamide?
The InChIKey is VKHHZDHCQLMQGC-IVNBMTEESA-N. The full InChI is InChI=1S/C13H20N2O/c1-5-12(10-14-6-2)7-8-15-13(16)9-11(3)4/h5-6,10H,2-3,7-9H2,1,4H3,(H,15,16)/b12-5-,14-10+.
What are the key properties of N-[(Z)-3-(ethenyliminomethyl)pent-3-enyl]-3-methylbut-3-enamide?
N-[(Z)-3-(ethenyliminomethyl)pent-3-enyl]-3-methylbut-3-enamide has a molecular weight of 220.32 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-(ethenyliminomethyl)pent-3-enyl]-3-methylbut-3-enamide is sourced from PubChem (CID 144603700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).