N-cyclobutyl-2-[(methylideneamino)methylidene]but-3-enamide

C10H14N2O — CID 123965543

IUPACN-cyclobutyl-2-[(methylideneamino)methylidene]but-3-enamide
SMILESC=CC(=CN=C)C(=O)NC1CCC1
InChIInChI=1S/C10H14N2O/c1-3-8(7-11-2)10(13)12-9-5-4-6-9/h3,7,9H,1-2,4-6H2,(H,12,13)
InChIKeyZKKNRTCQQULVPJ-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.43
Rot. Bonds4

About N-cyclobutyl-2-[(methylideneamino)methylidene]but-3-enamide

N-cyclobutyl-2-[(methylideneamino)methylidene]but-3-enamide (PubChem CID 123965543) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is N-cyclobutyl-2-[(methylideneamino)methylidene]but-3-enamide.

Molecular Properties

Compound NameN-cyclobutyl-2-[(methylideneamino)methylidene]but-3-enamide
PubChem CID123965543
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC NameN-cyclobutyl-2-[(methylideneamino)methylidene]but-3-enamide
SMILESC=CC(=CN=C)C(=O)NC1CCC1
InChIInChI=1S/C10H14N2O/c1-3-8(7-11-2)10(13)12-9-5-4-6-9/h3,7,9H,1-2,4-6H2,(H,12,13)
InChIKeyZKKNRTCQQULVPJ-UHFFFAOYSA-N
XLogP1.43
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-[(2E)-2-[(methylideneamino)methylidene]but-3-enyl]propanamide
CID 142817717
(2E)-N-ethyl-2-[(methylideneamino)methylidene]but-3-enamide
CID 144105627
(2E)-2-[(methylideneamino)methylidene]-N-propylbut-3-enamide
CID 144294326
N-[(2S,3E)-3-[(methylideneamino)methylidene]pent-4-en-2-yl]propanamide;molecular hydrogen
CID 171523174
(2E)-2-[(methylideneamino)methylidene]-N-prop-2-enylbut-3-enamide
CID 178010414
(Z,2E)-4-amino-2-(aminomethylidene)-N-propan-2-ylbut-3-enamide
CID 178037123
(2E)-2-[(methylideneamino)methylidene]-N-propan-2-ylbut-3-enamide
CID 178037139
N-[(2S,3E)-3-[(methylideneamino)methylidene]pent-4-en-2-yl]propanamide
CID 171523175

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-2-[(methylideneamino)methylidene]but-3-enamide?
The IUPAC name of N-cyclobutyl-2-[(methylideneamino)methylidene]but-3-enamide (CID 123965543) is N-cyclobutyl-2-[(methylideneamino)methylidene]but-3-enamide.
What is the SMILES notation for N-cyclobutyl-2-[(methylideneamino)methylidene]but-3-enamide?
The canonical SMILES for N-cyclobutyl-2-[(methylideneamino)methylidene]but-3-enamide is C=CC(=CN=C)C(=O)NC1CCC1.
What is the InChIKey of N-cyclobutyl-2-[(methylideneamino)methylidene]but-3-enamide?
The InChIKey is ZKKNRTCQQULVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-3-8(7-11-2)10(13)12-9-5-4-6-9/h3,7,9H,1-2,4-6H2,(H,12,13).
What are the key properties of N-cyclobutyl-2-[(methylideneamino)methylidene]but-3-enamide?
N-cyclobutyl-2-[(methylideneamino)methylidene]but-3-enamide has a molecular weight of 178.23 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-2-[(methylideneamino)methylidene]but-3-enamide is sourced from PubChem (CID 123965543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).