N-[(3E)-2-hydroxy-3-[(Z)-prop-1-enyl]hexa-3,5-dienyl]formamide

C10H15NO2 — CID 164901972

IUPACN-[(3E)-2-hydroxy-3-[(Z)-prop-1-enyl]hexa-3,5-dienyl]formamide
SMILESC=C/C=C(\C=C/C)C(O)CNC=O
InChIInChI=1S/C10H15NO2/c1-3-5-9(6-4-2)10(13)7-11-8-12/h3-6,8,10,13H,1,7H2,2H3,(H,11,12)/b6-4-,9-5+
InChIKeyFITXITSUSWEYTA-QUNSIMLLSA-N
MW181.23 g/mol
LogP0.78
Rot. Bonds6

About N-[(3E)-2-hydroxy-3-[(Z)-prop-1-enyl]hexa-3,5-dienyl]formamide

N-[(3E)-2-hydroxy-3-[(Z)-prop-1-enyl]hexa-3,5-dienyl]formamide (PubChem CID 164901972) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is N-[(3E)-2-hydroxy-3-[(Z)-prop-1-enyl]hexa-3,5-dienyl]formamide.

Molecular Properties

Compound NameN-[(3E)-2-hydroxy-3-[(Z)-prop-1-enyl]hexa-3,5-dienyl]formamide
PubChem CID164901972
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC NameN-[(3E)-2-hydroxy-3-[(Z)-prop-1-enyl]hexa-3,5-dienyl]formamide
SMILESC=C/C=C(\C=C/C)C(O)CNC=O
InChIInChI=1S/C10H15NO2/c1-3-5-9(6-4-2)10(13)7-11-8-12/h3-6,8,10,13H,1,7H2,2H3,(H,11,12)/b6-4-,9-5+
InChIKeyFITXITSUSWEYTA-QUNSIMLLSA-N
XLogP0.78
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-ol
CID 87112963
(2R,3E)-3-ethenyl-1-(methylamino)hexa-3,5-dien-2-ol
CID 177168631
ethane;(3E,6E)-4-ethenyl-6-[(Z)-prop-1-enyl]nona-1,3,6,8-tetraen-5-ol
CID 156838266
ethane;(3E,6E,7Z)-4-ethenyl-6-ethylidene-5-methylnona-1,3,7-triene
CID 143201659
(2S)-3-formamido-2-hydroxypropanoic acid
CID 22855355
ethane;(3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-amine
CID 142253668
3-formamido-2-hydroxy-N,N-dimethylpropanamide
CID 89251915
(2S,3E)-2-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dienal;pentan-2-one
CID 143358697
N-[(Z)-2-methylidenepent-3-enyl]formamide
CID 143724109
(3E)-2-[[(3E,5Z)-hepta-1,3,5-trien-4-yl]amino]-3-[(Z)-prop-1-enyl]hexa-3,5-dienamide
CID 142824224
(2S)-N-[(3E)-2-amino-3-[(Z)-prop-1-enyl]hexa-3,5-dienyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 143527450
N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]thiohydroxylamine
CID 143724474

Frequently Asked Questions

What is the IUPAC name of N-[(3E)-2-hydroxy-3-[(Z)-prop-1-enyl]hexa-3,5-dienyl]formamide?
The IUPAC name of N-[(3E)-2-hydroxy-3-[(Z)-prop-1-enyl]hexa-3,5-dienyl]formamide (CID 164901972) is N-[(3E)-2-hydroxy-3-[(Z)-prop-1-enyl]hexa-3,5-dienyl]formamide.
What is the SMILES notation for N-[(3E)-2-hydroxy-3-[(Z)-prop-1-enyl]hexa-3,5-dienyl]formamide?
The canonical SMILES for N-[(3E)-2-hydroxy-3-[(Z)-prop-1-enyl]hexa-3,5-dienyl]formamide is C=C/C=C(\C=C/C)C(O)CNC=O.
What is the InChIKey of N-[(3E)-2-hydroxy-3-[(Z)-prop-1-enyl]hexa-3,5-dienyl]formamide?
The InChIKey is FITXITSUSWEYTA-QUNSIMLLSA-N. The full InChI is InChI=1S/C10H15NO2/c1-3-5-9(6-4-2)10(13)7-11-8-12/h3-6,8,10,13H,1,7H2,2H3,(H,11,12)/b6-4-,9-5+.
What are the key properties of N-[(3E)-2-hydroxy-3-[(Z)-prop-1-enyl]hexa-3,5-dienyl]formamide?
N-[(3E)-2-hydroxy-3-[(Z)-prop-1-enyl]hexa-3,5-dienyl]formamide has a molecular weight of 181.23 g/mol, XLogP of 0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E)-2-hydroxy-3-[(Z)-prop-1-enyl]hexa-3,5-dienyl]formamide is sourced from PubChem (CID 164901972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).