ethane;(3E)-4-(methylideneamino)penta-1,3-dien-3-ol

C10H21NO — CID 143976518

IUPACethane;(3E)-4-(methylideneamino)penta-1,3-dien-3-ol
SMILESC=C/C(O)=C(/C)N=C.CC.CC
InChIInChI=1S/C6H9NO.2C2H6/c1-4-6(8)5(2)7-3;2*1-2/h4,8H,1,3H2,2H3;2*1-2H3/b6-5+;;
InChIKeyRUEQQVQXMADUAQ-TXOOBNKBSA-N
MW171.28 g/mol
LogP3.71
Rot. Bonds2

About ethane;(3E)-4-(methylideneamino)penta-1,3-dien-3-ol

ethane;(3E)-4-(methylideneamino)penta-1,3-dien-3-ol (PubChem CID 143976518) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is ethane;(3E)-4-(methylideneamino)penta-1,3-dien-3-ol.

Molecular Properties

Compound Nameethane;(3E)-4-(methylideneamino)penta-1,3-dien-3-ol
PubChem CID143976518
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Nameethane;(3E)-4-(methylideneamino)penta-1,3-dien-3-ol
SMILESC=C/C(O)=C(/C)N=C.CC.CC
InChIInChI=1S/C6H9NO.2C2H6/c1-4-6(8)5(2)7-3;2*1-2/h4,8H,1,3H2,2H3;2*1-2H3/b6-5+;;
InChIKeyRUEQQVQXMADUAQ-TXOOBNKBSA-N
XLogP3.71
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(3E)-4-(butan-2-ylideneamino)penta-1,3-dien-3-ol
CID 142201906
(E)-2-ethenyl-N-methyl-3-(methylideneamino)but-2-en-1-amine
CID 142162721
N-[(2Z,4Z)-5-methyl-3-prop-1-en-2-ylhepta-2,4,6-trien-2-yl]methanimine
CID 143289392
ethane;(Z)-N-methyl-3-(methylideneamino)but-2-en-2-amine
CID 143722867
ethane;(Z)-N-(methylideneamino)but-3-en-2-imine
CID 143330418
N-[(E)-but-2-en-2-yl]methanimine;ethane
CID 145473397
ethane;N-[(2E)-3-(6-fluoro-5-methyl-3-pyridinyl)penta-2,4-dien-2-yl]methanimine
CID 144505337
N-[(2E)-1,3-dibromopenta-2,4-dien-2-yl]methanimine;ethane
CID 163370351
N-[(2Z,4Z)-3-methylhexa-2,4-dien-2-yl]methanimine
CID 139436221
acetic acid;(3Z)-4-aminohexa-1,3,5-trien-3-ol
CID 142913066
ethane;(2Z)-3-(trifluoromethyl)penta-2,4-dien-2-ol
CID 145372548
N-[(3E)-5-methylhexa-1,3,5-trien-3-yl]methanimine
CID 178001749

Frequently Asked Questions

What is the IUPAC name of ethane;(3E)-4-(methylideneamino)penta-1,3-dien-3-ol?
The IUPAC name of ethane;(3E)-4-(methylideneamino)penta-1,3-dien-3-ol (CID 143976518) is ethane;(3E)-4-(methylideneamino)penta-1,3-dien-3-ol.
What is the SMILES notation for ethane;(3E)-4-(methylideneamino)penta-1,3-dien-3-ol?
The canonical SMILES for ethane;(3E)-4-(methylideneamino)penta-1,3-dien-3-ol is C=C/C(O)=C(/C)N=C.CC.CC.
What is the InChIKey of ethane;(3E)-4-(methylideneamino)penta-1,3-dien-3-ol?
The InChIKey is RUEQQVQXMADUAQ-TXOOBNKBSA-N. The full InChI is InChI=1S/C6H9NO.2C2H6/c1-4-6(8)5(2)7-3;2*1-2/h4,8H,1,3H2,2H3;2*1-2H3/b6-5+;;.
What are the key properties of ethane;(3E)-4-(methylideneamino)penta-1,3-dien-3-ol?
ethane;(3E)-4-(methylideneamino)penta-1,3-dien-3-ol has a molecular weight of 171.28 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3E)-4-(methylideneamino)penta-1,3-dien-3-ol is sourced from PubChem (CID 143976518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).