N-[(3E)-6-methylhepta-1,3,5-trien-3-yl]formamide

C9H13NO — CID 142315357

IUPACN-[(3E)-6-methylhepta-1,3,5-trien-3-yl]formamide
SMILESC=C/C(=C\C=C(C)C)NC=O
InChIInChI=1S/C9H13NO/c1-4-9(10-7-11)6-5-8(2)3/h4-7H,1H2,2-3H3,(H,10,11)/b9-6+
InChIKeyWOVQCKRBFIBCAR-RMKNXTFCSA-N
MW151.21 g/mol
LogP1.77
Rot. Bonds4

About N-[(3E)-6-methylhepta-1,3,5-trien-3-yl]formamide

N-[(3E)-6-methylhepta-1,3,5-trien-3-yl]formamide (PubChem CID 142315357) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is N-[(3E)-6-methylhepta-1,3,5-trien-3-yl]formamide.

Molecular Properties

Compound NameN-[(3E)-6-methylhepta-1,3,5-trien-3-yl]formamide
PubChem CID142315357
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC NameN-[(3E)-6-methylhepta-1,3,5-trien-3-yl]formamide
SMILESC=C/C(=C\C=C(C)C)NC=O
InChIInChI=1S/C9H13NO/c1-4-9(10-7-11)6-5-8(2)3/h4-7H,1H2,2-3H3,(H,10,11)/b9-6+
InChIKeyWOVQCKRBFIBCAR-RMKNXTFCSA-N
XLogP1.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-formylprop-2-enamide;bis(propan-2-one)
CID 22614021
N-[(3E,5E)-6-(5-methyl-1,3-oxazol-2-yl)hepta-1,3,5-trien-3-yl]formamide
CID 89214762
N-[(1E)-1-(methylideneamino)buta-1,3-dien-2-yl]formamide
CID 143633912
N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]formamide;3-methoxypropanoic acid
CID 143489553
N-[(3E,5E)-6-aminohepta-1,3,5-trien-3-yl]formamide;(1E,3Z)-N-methyl-5-(trifluoromethyl)hexa-1,3,5-trien-1-amine
CID 145312586
N-formylprop-2-enamide;N-methylformamide
CID 159760738
butan-2-one;ethane;N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]formamide
CID 142225178
ethane;1-fluoro-2-methylbenzene;N-[(3E)-hexa-1,3,5-trien-3-yl]formamide
CID 143900311
N-[(3E,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-3-yl]acetamide
CID 122661471
N-[(2E,4E)-5-cyanohepta-2,4,6-trien-2-yl]formamide
CID 163488499
4-formamido-N-[(3E)-hexa-1,3,5-trien-3-yl]pent-4-enamide
CID 142586076
(3E)-6-methylhepta-1,3,5-triene-3-thiol
CID 118400395

Frequently Asked Questions

What is the IUPAC name of N-[(3E)-6-methylhepta-1,3,5-trien-3-yl]formamide?
The IUPAC name of N-[(3E)-6-methylhepta-1,3,5-trien-3-yl]formamide (CID 142315357) is N-[(3E)-6-methylhepta-1,3,5-trien-3-yl]formamide.
What is the SMILES notation for N-[(3E)-6-methylhepta-1,3,5-trien-3-yl]formamide?
The canonical SMILES for N-[(3E)-6-methylhepta-1,3,5-trien-3-yl]formamide is C=C/C(=C\C=C(C)C)NC=O.
What is the InChIKey of N-[(3E)-6-methylhepta-1,3,5-trien-3-yl]formamide?
The InChIKey is WOVQCKRBFIBCAR-RMKNXTFCSA-N. The full InChI is InChI=1S/C9H13NO/c1-4-9(10-7-11)6-5-8(2)3/h4-7H,1H2,2-3H3,(H,10,11)/b9-6+.
What are the key properties of N-[(3E)-6-methylhepta-1,3,5-trien-3-yl]formamide?
N-[(3E)-6-methylhepta-1,3,5-trien-3-yl]formamide has a molecular weight of 151.21 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E)-6-methylhepta-1,3,5-trien-3-yl]formamide is sourced from PubChem (CID 142315357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).