N-[(1E,3Z)-1-(methylideneamino)penta-1,3-dien-2-yl]butanamide

C10H16N2O — CID 147432203

IUPACN-[(1E,3Z)-1-(methylideneamino)penta-1,3-dien-2-yl]butanamide
SMILESC=N/C=C(\C=C/C)NC(=O)CCC
InChIInChI=1S/C10H16N2O/c1-4-6-9(8-11-3)12-10(13)7-5-2/h4,6,8H,3,5,7H2,1-2H3,(H,12,13)/b6-4-,9-8+
InChIKeyDUOIHEZEMXTWQS-LJWGDIBWSA-N
MW180.25 g/mol
LogP2.02
Rot. Bonds5

About N-[(1E,3Z)-1-(methylideneamino)penta-1,3-dien-2-yl]butanamide

N-[(1E,3Z)-1-(methylideneamino)penta-1,3-dien-2-yl]butanamide (PubChem CID 147432203) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is N-[(1E,3Z)-1-(methylideneamino)penta-1,3-dien-2-yl]butanamide.

Molecular Properties

Compound NameN-[(1E,3Z)-1-(methylideneamino)penta-1,3-dien-2-yl]butanamide
PubChem CID147432203
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC NameN-[(1E,3Z)-1-(methylideneamino)penta-1,3-dien-2-yl]butanamide
SMILESC=N/C=C(\C=C/C)NC(=O)CCC
InChIInChI=1S/C10H16N2O/c1-4-6-9(8-11-3)12-10(13)7-5-2/h4,6,8H,3,5,7H2,1-2H3,(H,12,13)/b6-4-,9-8+
InChIKeyDUOIHEZEMXTWQS-LJWGDIBWSA-N
XLogP2.02
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.02
H-Bond Donors ≤ 51
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

N-[(1Z,3Z)-1-fluoro-1-(methylideneamino)penta-1,3-dien-2-yl]propanamide
CID 170583184
N-[(1Z,3E)-1-aminohexa-1,3,5-trien-3-yl]-2,2-dimethylpropanamide
CID 88243226
N-[(1E,3Z)-1-aminohexa-1,3,5-trien-2-yl]-2,2-dimethylpropanamide
CID 89278168
2,2-dimethyl-N-[4-(methylideneamino)penta-1,3-dien-2-yl]propanamide
CID 123482195
N-(cyclododecahexaenyl)butanamide
CID 123599796
N-[(2E,4Z)-hexa-2,4-dien-3-yl]butanamide
CID 134550901
2,2-dimethyl-N-[(1Z,3E)-1-(methylideneamino)penta-1,3-dien-3-yl]propanamide
CID 137392199
4-amino-N-[(3E)-hexa-1,3,5-trien-3-yl]butanamide
CID 142136380
N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]butanamide
CID 142929287
N-[(1Z,3E)-1-(ethylideneamino)penta-1,3-dien-3-yl]acetamide
CID 143106770
ethane;N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]butanamide
CID 143705055
N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]butanamide
CID 143705056

Frequently Asked Questions

What is the IUPAC name of N-[(1E,3Z)-1-(methylideneamino)penta-1,3-dien-2-yl]butanamide?
The IUPAC name of N-[(1E,3Z)-1-(methylideneamino)penta-1,3-dien-2-yl]butanamide (CID 147432203) is N-[(1E,3Z)-1-(methylideneamino)penta-1,3-dien-2-yl]butanamide.
What is the SMILES notation for N-[(1E,3Z)-1-(methylideneamino)penta-1,3-dien-2-yl]butanamide?
The canonical SMILES for N-[(1E,3Z)-1-(methylideneamino)penta-1,3-dien-2-yl]butanamide is C=N/C=C(\C=C/C)NC(=O)CCC.
What is the InChIKey of N-[(1E,3Z)-1-(methylideneamino)penta-1,3-dien-2-yl]butanamide?
The InChIKey is DUOIHEZEMXTWQS-LJWGDIBWSA-N. The full InChI is InChI=1S/C10H16N2O/c1-4-6-9(8-11-3)12-10(13)7-5-2/h4,6,8H,3,5,7H2,1-2H3,(H,12,13)/b6-4-,9-8+.
What are the key properties of N-[(1E,3Z)-1-(methylideneamino)penta-1,3-dien-2-yl]butanamide?
N-[(1E,3Z)-1-(methylideneamino)penta-1,3-dien-2-yl]butanamide has a molecular weight of 180.25 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E,3Z)-1-(methylideneamino)penta-1,3-dien-2-yl]butanamide is sourced from PubChem (CID 147432203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).