N-methyl-N-[(3Z)-3-[(methylideneamino)methylidene]pent-4-enyl]acetamide

C10H16N2O — CID 143432446

IUPACN-methyl-N-[(3Z)-3-[(methylideneamino)methylidene]pent-4-enyl]acetamide
SMILESC=C/C(=C\N=C)CCN(C)C(C)=O
InChIInChI=1S/C10H16N2O/c1-5-10(8-11-3)6-7-12(4)9(2)13/h5,8H,1,3,6-7H2,2,4H3/b10-8+
InChIKeyABEDNMZYUPETRU-CSKARUKUSA-N
MW180.25 g/mol
LogP1.63
Rot. Bonds5

About N-methyl-N-[(3Z)-3-[(methylideneamino)methylidene]pent-4-enyl]acetamide

N-methyl-N-[(3Z)-3-[(methylideneamino)methylidene]pent-4-enyl]acetamide (PubChem CID 143432446) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is N-methyl-N-[(3Z)-3-[(methylideneamino)methylidene]pent-4-enyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[(3Z)-3-[(methylideneamino)methylidene]pent-4-enyl]acetamide
PubChem CID143432446
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC NameN-methyl-N-[(3Z)-3-[(methylideneamino)methylidene]pent-4-enyl]acetamide
SMILESC=C/C(=C\N=C)CCN(C)C(C)=O
InChIInChI=1S/C10H16N2O/c1-5-10(8-11-3)6-7-12(4)9(2)13/h5,8H,1,3,6-7H2,2,4H3/b10-8+
InChIKeyABEDNMZYUPETRU-CSKARUKUSA-N
XLogP1.63
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-Methyl-2,3-dihydropyrrol-1-yl)ethanone;prop-1-ene
CID 143095314
ethane;N-methyl-N-[(3Z)-3-[(methylideneamino)methylidene]pent-4-enyl]acetamide
CID 143432445
N-methyl-N-[(2E)-2-[(methylideneamino)methylidene]but-3-enyl]acetamide
CID 143560236
N-[(3Z)-3-[(methylideneamino)methylidene]pent-4-enyl]acetamide
CID 143571918
N-methyl-N-[(2Z,5Z)-2-methyl-6-(methylideneamino)hexa-2,5-dienyl]acetamide
CID 163956379
N-[(3Z)-3-[(ethylideneamino)methylidene]-4-methylpent-4-enyl]-N-methylacetamide
CID 145629061

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3Z)-3-[(methylideneamino)methylidene]pent-4-enyl]acetamide?
The IUPAC name of N-methyl-N-[(3Z)-3-[(methylideneamino)methylidene]pent-4-enyl]acetamide (CID 143432446) is N-methyl-N-[(3Z)-3-[(methylideneamino)methylidene]pent-4-enyl]acetamide.
What is the SMILES notation for N-methyl-N-[(3Z)-3-[(methylideneamino)methylidene]pent-4-enyl]acetamide?
The canonical SMILES for N-methyl-N-[(3Z)-3-[(methylideneamino)methylidene]pent-4-enyl]acetamide is C=C/C(=C\N=C)CCN(C)C(C)=O.
What is the InChIKey of N-methyl-N-[(3Z)-3-[(methylideneamino)methylidene]pent-4-enyl]acetamide?
The InChIKey is ABEDNMZYUPETRU-CSKARUKUSA-N. The full InChI is InChI=1S/C10H16N2O/c1-5-10(8-11-3)6-7-12(4)9(2)13/h5,8H,1,3,6-7H2,2,4H3/b10-8+.
What are the key properties of N-methyl-N-[(3Z)-3-[(methylideneamino)methylidene]pent-4-enyl]acetamide?
N-methyl-N-[(3Z)-3-[(methylideneamino)methylidene]pent-4-enyl]acetamide has a molecular weight of 180.25 g/mol, XLogP of 1.63, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3Z)-3-[(methylideneamino)methylidene]pent-4-enyl]acetamide is sourced from PubChem (CID 143432446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).