N-[(Z)-3-methylidene-5-(methylideneamino)pent-4-enyl]formamide

C8H12N2O — CID 89064249

IUPACN-[(Z)-3-methylidene-5-(methylideneamino)pent-4-enyl]formamide
SMILESC=N/C=C\C(=C)CCNC=O
InChIInChI=1S/C8H12N2O/c1-8(3-5-9-2)4-6-10-7-11/h3,5,7H,1-2,4,6H2,(H,10,11)/b5-3-
InChIKeyDVUKNJJNEWUGIY-HYXAFXHYSA-N
MW152.20 g/mol
LogP0.89
Rot. Bonds6

About N-[(Z)-3-methylidene-5-(methylideneamino)pent-4-enyl]formamide

N-[(Z)-3-methylidene-5-(methylideneamino)pent-4-enyl]formamide (PubChem CID 89064249) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is N-[(Z)-3-methylidene-5-(methylideneamino)pent-4-enyl]formamide.

Molecular Properties

Compound NameN-[(Z)-3-methylidene-5-(methylideneamino)pent-4-enyl]formamide
PubChem CID89064249
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC NameN-[(Z)-3-methylidene-5-(methylideneamino)pent-4-enyl]formamide
SMILESC=N/C=C\C(=C)CCNC=O
InChIInChI=1S/C8H12N2O/c1-8(3-5-9-2)4-6-10-7-11/h3,5,7H,1-2,4,6H2,(H,10,11)/b5-3-
InChIKeyDVUKNJJNEWUGIY-HYXAFXHYSA-N
XLogP0.89
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(3Z)-3-[(methylideneamino)methylidene]pent-4-enyl]acetamide
CID 143571918
N-[(Z)-2-methylidene-4-(methylideneamino)but-3-enyl]formamide
CID 144487448
N-[(2E)-2-[(methylideneamino)methylidene]but-3-enyl]formamide
CID 144195554

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-methylidene-5-(methylideneamino)pent-4-enyl]formamide?
The IUPAC name of N-[(Z)-3-methylidene-5-(methylideneamino)pent-4-enyl]formamide (CID 89064249) is N-[(Z)-3-methylidene-5-(methylideneamino)pent-4-enyl]formamide.
What is the SMILES notation for N-[(Z)-3-methylidene-5-(methylideneamino)pent-4-enyl]formamide?
The canonical SMILES for N-[(Z)-3-methylidene-5-(methylideneamino)pent-4-enyl]formamide is C=N/C=C\C(=C)CCNC=O.
What is the InChIKey of N-[(Z)-3-methylidene-5-(methylideneamino)pent-4-enyl]formamide?
The InChIKey is DVUKNJJNEWUGIY-HYXAFXHYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-8(3-5-9-2)4-6-10-7-11/h3,5,7H,1-2,4,6H2,(H,10,11)/b5-3-.
What are the key properties of N-[(Z)-3-methylidene-5-(methylideneamino)pent-4-enyl]formamide?
N-[(Z)-3-methylidene-5-(methylideneamino)pent-4-enyl]formamide has a molecular weight of 152.20 g/mol, XLogP of 0.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-methylidene-5-(methylideneamino)pent-4-enyl]formamide is sourced from PubChem (CID 89064249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).