(2E,4Z)-N-(methylideneamino)-2-prop-1-en-2-ylhexa-2,4-dienamide

C10H14N2O — CID 176580787

IUPAC(2E,4Z)-N-(methylideneamino)-2-prop-1-en-2-ylhexa-2,4-dienamide
SMILESC=NNC(=O)/C(=C/C=C\C)C(=C)C
InChIInChI=1S/C10H14N2O/c1-5-6-7-9(8(2)3)10(13)12-11-4/h5-7H,2,4H2,1,3H3,(H,12,13)/b6-5-,9-7+
InChIKeyMHAPQUBBJARZTO-BZWSEGBZSA-N
MW178.23 g/mol
LogP1.80
Rot. Bonds4

About (2E,4Z)-N-(methylideneamino)-2-prop-1-en-2-ylhexa-2,4-dienamide

(2E,4Z)-N-(methylideneamino)-2-prop-1-en-2-ylhexa-2,4-dienamide (PubChem CID 176580787) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is (2E,4Z)-N-(methylideneamino)-2-prop-1-en-2-ylhexa-2,4-dienamide.

Molecular Properties

Compound Name(2E,4Z)-N-(methylideneamino)-2-prop-1-en-2-ylhexa-2,4-dienamide
PubChem CID176580787
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name(2E,4Z)-N-(methylideneamino)-2-prop-1-en-2-ylhexa-2,4-dienamide
SMILESC=NNC(=O)/C(=C/C=C\C)C(=C)C
InChIInChI=1S/C10H14N2O/c1-5-6-7-9(8(2)3)10(13)12-11-4/h5-7H,2,4H2,1,3H3,(H,12,13)/b6-5-,9-7+
InChIKeyMHAPQUBBJARZTO-BZWSEGBZSA-N
XLogP1.80
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 ≤ 51.80
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2E,4Z)-N,2-bis(prop-1-en-2-yl)hexa-2,4-dienamide
CID 142187285
(3E,5Z)-2-methyl-N-(methylideneamino)hepta-1,3,5-trien-3-amine
CID 88960569
3-(2-methylidenehydrazinyl)but-3-en-2-one
CID 163670052
N-[(3E,5Z)-2-methylimino-3-prop-1-en-2-ylhepta-3,5-dienyl]prop-2-enamide
CID 168906180
6-propan-2-ylidene-5-prop-1-en-2-ylnona-2,4,7-triene
CID 123924693
(2Z,3E)-2,3-bis[(E)-but-2-enylidene]butanedioic acid
CID 141155384
2-but-2-enylidenepropanedioic acid
CID 54310127
N-[(2Z,4Z)-2-(methylideneamino)hexa-2,4-dienyl]acetamide
CID 129262304
(Z)-3-amino-N-(methylideneamino)but-2-enamide
CID 129066381
N-[(1E,3Z)-1-iodopenta-1,3-dienyl]methanimine
CID 163860981
N-(methylideneamino)prop-1-en-2-amine
CID 58051997
ethane;(3E,5Z)-3-[(3Z)-2-methylpenta-1,3-dien-3-yl]hepta-3,5-dien-2-one;3-methylpiperidine-2,6-dione
CID 153330323

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-N-(methylideneamino)-2-prop-1-en-2-ylhexa-2,4-dienamide?
The IUPAC name of (2E,4Z)-N-(methylideneamino)-2-prop-1-en-2-ylhexa-2,4-dienamide (CID 176580787) is (2E,4Z)-N-(methylideneamino)-2-prop-1-en-2-ylhexa-2,4-dienamide.
What is the SMILES notation for (2E,4Z)-N-(methylideneamino)-2-prop-1-en-2-ylhexa-2,4-dienamide?
The canonical SMILES for (2E,4Z)-N-(methylideneamino)-2-prop-1-en-2-ylhexa-2,4-dienamide is C=NNC(=O)/C(=C/C=C\C)C(=C)C.
What is the InChIKey of (2E,4Z)-N-(methylideneamino)-2-prop-1-en-2-ylhexa-2,4-dienamide?
The InChIKey is MHAPQUBBJARZTO-BZWSEGBZSA-N. The full InChI is InChI=1S/C10H14N2O/c1-5-6-7-9(8(2)3)10(13)12-11-4/h5-7H,2,4H2,1,3H3,(H,12,13)/b6-5-,9-7+.
What are the key properties of (2E,4Z)-N-(methylideneamino)-2-prop-1-en-2-ylhexa-2,4-dienamide?
(2E,4Z)-N-(methylideneamino)-2-prop-1-en-2-ylhexa-2,4-dienamide has a molecular weight of 178.23 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-N-(methylideneamino)-2-prop-1-en-2-ylhexa-2,4-dienamide is sourced from PubChem (CID 176580787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).