(3Z,5Z)-N-formyl-2-methylidene-N-propan-2-ylhepta-3,5-dienamide

C12H17NO2 — CID 89002711

IUPAC(3Z,5Z)-N-formyl-2-methylidene-N-propan-2-ylhepta-3,5-dienamide
SMILESC=C(/C=C\C=C/C)C(=O)N(C=O)C(C)C
InChIInChI=1S/C12H17NO2/c1-5-6-7-8-11(4)12(15)13(9-14)10(2)3/h5-10H,4H2,1-3H3/b6-5-,8-7-
InChIKeyMREYAZNYVHLJBV-ISTTXYCBSA-N
MW207.27 g/mol
LogP2.07
Rot. Bonds5

About (3Z,5Z)-N-formyl-2-methylidene-N-propan-2-ylhepta-3,5-dienamide

(3Z,5Z)-N-formyl-2-methylidene-N-propan-2-ylhepta-3,5-dienamide (PubChem CID 89002711) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is (3Z,5Z)-N-formyl-2-methylidene-N-propan-2-ylhepta-3,5-dienamide.

Molecular Properties

Compound Name(3Z,5Z)-N-formyl-2-methylidene-N-propan-2-ylhepta-3,5-dienamide
PubChem CID89002711
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name(3Z,5Z)-N-formyl-2-methylidene-N-propan-2-ylhepta-3,5-dienamide
SMILESC=C(/C=C\C=C/C)C(=O)N(C=O)C(C)C
InChIInChI=1S/C12H17NO2/c1-5-6-7-8-11(4)12(15)13(9-14)10(2)3/h5-10H,4H2,1-3H3/b6-5-,8-7-
InChIKeyMREYAZNYVHLJBV-ISTTXYCBSA-N
XLogP2.07
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3Z,5Z)-N-formyl-2-methylidene-N-propan-2-ylhepta-3,5-dienamide with MolForge

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Related Compounds

(2E,4E,8E)-5,9-dimethyl-10-oxo-N,N-di(propan-2-yl)deca-2,4,8-trienamide
CID 44561548
(5E)-5-(2-methylpropylidene)-1,2-di(propan-2-yl)-2H-pyridin-6-one
CID 57579844
(E)-2-isopropyl-2,4-pentadienoic acid diisopropylamide
CID 59412382
N,N,2-tri(propan-2-yl)penta-2,4-dienamide
CID 72277354
N,N-diethyl-2-methyl-6-oxohepta-2,4-dienamide
CID 85949703
(Z)-N-methyl-2-methylidene-N-propylpent-3-enamide
CID 87622857
(5E)-1,2-dimethyl-5-(2-methylbutylidene)-2H-pyridin-6-one
CID 89063961
4-methyl-2-propan-2-ylidene-N,N-bis(prop-2-enyl)pent-3-enamide
CID 89090847
(5E)-5-ethylidene-1,2-dimethyl-2H-pyridin-6-one
CID 89194291
(4Z,6Z)-1-butyl-8-methylidene-3H-azonine-2,9-dione
CID 89742689
N-methyl-2-methylidene-N-propan-2-ylpent-3-enamide
CID 91530422
N-methyl-N-propan-2-yl-2-propan-2-ylidenepent-3-enamide
CID 123432083

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-N-formyl-2-methylidene-N-propan-2-ylhepta-3,5-dienamide?
The IUPAC name of (3Z,5Z)-N-formyl-2-methylidene-N-propan-2-ylhepta-3,5-dienamide (CID 89002711) is (3Z,5Z)-N-formyl-2-methylidene-N-propan-2-ylhepta-3,5-dienamide.
What is the SMILES notation for (3Z,5Z)-N-formyl-2-methylidene-N-propan-2-ylhepta-3,5-dienamide?
The canonical SMILES for (3Z,5Z)-N-formyl-2-methylidene-N-propan-2-ylhepta-3,5-dienamide is C=C(/C=C\C=C/C)C(=O)N(C=O)C(C)C.
What is the InChIKey of (3Z,5Z)-N-formyl-2-methylidene-N-propan-2-ylhepta-3,5-dienamide?
The InChIKey is MREYAZNYVHLJBV-ISTTXYCBSA-N. The full InChI is InChI=1S/C12H17NO2/c1-5-6-7-8-11(4)12(15)13(9-14)10(2)3/h5-10H,4H2,1-3H3/b6-5-,8-7-.
What are the key properties of (3Z,5Z)-N-formyl-2-methylidene-N-propan-2-ylhepta-3,5-dienamide?
(3Z,5Z)-N-formyl-2-methylidene-N-propan-2-ylhepta-3,5-dienamide has a molecular weight of 207.27 g/mol, XLogP of 2.07, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-N-formyl-2-methylidene-N-propan-2-ylhepta-3,5-dienamide is sourced from PubChem (CID 89002711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).