N-[(ethenylamino)methyl]-2-iminobut-3-enamide

C7H11N3O — CID 167136711

IUPACN-[(ethenylamino)methyl]-2-iminobut-3-enamide
SMILES[H]/N=C(\C=C)C(=O)NCNC=C
InChIInChI=1S/C7H11N3O/c1-3-6(8)7(11)10-5-9-4-2/h3-4,8-9H,1-2,5H2,(H,10,11)/b8-6+
InChIKeyULDQKSITKLYBBU-SOFGYWHQSA-N
MW153.18 g/mol
LogP-0.00
Rot. Bonds5

About N-[(ethenylamino)methyl]-2-iminobut-3-enamide

N-[(ethenylamino)methyl]-2-iminobut-3-enamide (PubChem CID 167136711) has the molecular formula C7H11N3O and a molecular weight of 153.18 g/mol. Its IUPAC name is N-[(ethenylamino)methyl]-2-iminobut-3-enamide.

Molecular Properties

Compound NameN-[(ethenylamino)methyl]-2-iminobut-3-enamide
PubChem CID167136711
Molecular FormulaC7H11N3O
Molecular Weight153.18 g/mol
Exact Mass153.09
IUPAC NameN-[(ethenylamino)methyl]-2-iminobut-3-enamide
SMILES[H]/N=C(\C=C)C(=O)NCNC=C
InChIInChI=1S/C7H11N3O/c1-3-6(8)7(11)10-5-9-4-2/h3-4,8-9H,1-2,5H2,(H,10,11)/b8-6+
InChIKeyULDQKSITKLYBBU-SOFGYWHQSA-N
XLogP-0.00
TPSA64.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 5-0.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(formamidomethyl)prop-2-enamide
CID 19959511
hex-1-ene-3,4-diimine
CID 123827973
(2Z)-2-ethylidenepent-4-ene-1,3-diimine
CID 123930405
CID 173161904
CID 173161904
(6S)-N-[(ethenylamino)methyl]-5-azaspiro[2.4]heptane-6-carboxamide
CID 134474781
N-ethenyl-2-iminoethanamine
CID 143034451
formic acid;N-[(prop-2-enoylamino)methyl]prop-2-enamide
CID 88793107
3,5,7-trimethyl-N-prop-2-enyladamantane-1-carboxamide
CID 2885888
N-[(3E,6Z)-3-ethylidene-5-iminonona-1,6,8-trien-4-yl]-2-oxobutanamide
CID 143418701
[(2-imino-3-oxopropanoyl)hydrazinylidene]tungsten
CID 140668977
[(E)-6-(ethenylamino)-3-methylhex-1-enyl] 2-[(1-methylcyclopropyl)methylamino]-2-oxoethanimidothioate
CID 135265947
(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2-iminobut-3-enoate
CID 163849463

Frequently Asked Questions

What is the IUPAC name of N-[(ethenylamino)methyl]-2-iminobut-3-enamide?
The IUPAC name of N-[(ethenylamino)methyl]-2-iminobut-3-enamide (CID 167136711) is N-[(ethenylamino)methyl]-2-iminobut-3-enamide.
What is the SMILES notation for N-[(ethenylamino)methyl]-2-iminobut-3-enamide?
The canonical SMILES for N-[(ethenylamino)methyl]-2-iminobut-3-enamide is [H]/N=C(\C=C)C(=O)NCNC=C.
What is the InChIKey of N-[(ethenylamino)methyl]-2-iminobut-3-enamide?
The InChIKey is ULDQKSITKLYBBU-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H11N3O/c1-3-6(8)7(11)10-5-9-4-2/h3-4,8-9H,1-2,5H2,(H,10,11)/b8-6+.
What are the key properties of N-[(ethenylamino)methyl]-2-iminobut-3-enamide?
N-[(ethenylamino)methyl]-2-iminobut-3-enamide has a molecular weight of 153.18 g/mol, XLogP of -0.00, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(ethenylamino)methyl]-2-iminobut-3-enamide is sourced from PubChem (CID 167136711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).