N-[(1E)-1-(dimethylamino)buta-1,3-dien-2-yl]cyclopropanecarboxamide

C10H16N2O — CID 135278502

IUPACN-[(1E)-1-(dimethylamino)buta-1,3-dien-2-yl]cyclopropanecarboxamide
SMILESC=C/C(=C\N(C)C)NC(=O)C1CC1
InChIInChI=1S/C10H16N2O/c1-4-9(7-12(2)3)11-10(13)8-5-6-8/h4,7-8H,1,5-6H2,2-3H3,(H,11,13)/b9-7+
InChIKeyZOLYQZSESJUGAU-VQHVLOKHSA-N
MW180.25 g/mol
LogP1.10
Rot. Bonds4

About N-[(1E)-1-(dimethylamino)buta-1,3-dien-2-yl]cyclopropanecarboxamide

N-[(1E)-1-(dimethylamino)buta-1,3-dien-2-yl]cyclopropanecarboxamide (PubChem CID 135278502) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is N-[(1E)-1-(dimethylamino)buta-1,3-dien-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(1E)-1-(dimethylamino)buta-1,3-dien-2-yl]cyclopropanecarboxamide
PubChem CID135278502
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC NameN-[(1E)-1-(dimethylamino)buta-1,3-dien-2-yl]cyclopropanecarboxamide
SMILESC=C/C(=C\N(C)C)NC(=O)C1CC1
InChIInChI=1S/C10H16N2O/c1-4-9(7-12(2)3)11-10(13)8-5-6-8/h4,7-8H,1,5-6H2,2-3H3,(H,11,13)/b9-7+
InChIKeyZOLYQZSESJUGAU-VQHVLOKHSA-N
XLogP1.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1E)-1-(dimethylamino)buta-1,3-dien-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[(1E)-1-(dimethylamino)buta-1,3-dien-2-yl]cyclopropanecarboxamide (CID 135278502) is N-[(1E)-1-(dimethylamino)buta-1,3-dien-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(1E)-1-(dimethylamino)buta-1,3-dien-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[(1E)-1-(dimethylamino)buta-1,3-dien-2-yl]cyclopropanecarboxamide is C=C/C(=C\N(C)C)NC(=O)C1CC1.
What is the InChIKey of N-[(1E)-1-(dimethylamino)buta-1,3-dien-2-yl]cyclopropanecarboxamide?
The InChIKey is ZOLYQZSESJUGAU-VQHVLOKHSA-N. The full InChI is InChI=1S/C10H16N2O/c1-4-9(7-12(2)3)11-10(13)8-5-6-8/h4,7-8H,1,5-6H2,2-3H3,(H,11,13)/b9-7+.
What are the key properties of N-[(1E)-1-(dimethylamino)buta-1,3-dien-2-yl]cyclopropanecarboxamide?
N-[(1E)-1-(dimethylamino)buta-1,3-dien-2-yl]cyclopropanecarboxamide has a molecular weight of 180.25 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E)-1-(dimethylamino)buta-1,3-dien-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 135278502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).