(3Z)-7-(methylamino)-5-methylidenehepta-1,3-dien-2-ol

C9H15NO — CID 143258823

IUPAC(3Z)-7-(methylamino)-5-methylidenehepta-1,3-dien-2-ol
SMILESC=C(O)/C=C\C(=C)CCNC
InChIInChI=1S/C9H15NO/c1-8(6-7-10-3)4-5-9(2)11/h4-5,10-11H,1-2,6-7H2,3H3/b5-4-
InChIKeyJKZCKJPJMHTEOJ-PLNGDYQASA-N
MW153.22 g/mol
LogP1.78
Rot. Bonds5

About (3Z)-7-(methylamino)-5-methylidenehepta-1,3-dien-2-ol

(3Z)-7-(methylamino)-5-methylidenehepta-1,3-dien-2-ol (PubChem CID 143258823) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (3Z)-7-(methylamino)-5-methylidenehepta-1,3-dien-2-ol.

Molecular Properties

Compound Name(3Z)-7-(methylamino)-5-methylidenehepta-1,3-dien-2-ol
PubChem CID143258823
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(3Z)-7-(methylamino)-5-methylidenehepta-1,3-dien-2-ol
SMILESC=C(O)/C=C\C(=C)CCNC
InChIInChI=1S/C9H15NO/c1-8(6-7-10-3)4-5-9(2)11/h4-5,10-11H,1-2,6-7H2,3H3/b5-4-
InChIKeyJKZCKJPJMHTEOJ-PLNGDYQASA-N
XLogP1.78
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 155386259
3-cyclopropyl-N-methylbut-3-en-1-amine
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CID 142281411
(3Z,5Z,7Z,8Z)-5,7-di(ethylidene)undeca-1,3,8,10-tetraene-2,10-diol
CID 166754770
3-cyclopentyl-N-methylbut-3-en-1-amine
CID 117269178
N-methyl-3-methylidenepent-4-yn-1-amine
CID 156648407
(5Z)-7-methyl-4-methylideneocta-5,7-dienoic acid
CID 144579461
(3Z)-5-methylhexa-1,3,5-trien-2-ol;uranium
CID 143030811
1-(3-methylidenepent-4-enyl)-2-propylhydrazine
CID 170016863
ethane;ethene;(Z)-3-ethenyl-N-methylpent-3-en-1-amine
CID 142873485
N-methyl-3-piperidin-4-ylbut-3-en-1-amine
CID 117268270
(4Z)-7-methyl-3-methylidene-N-prop-1-en-2-ylocta-4,6-dien-1-amine
CID 143998007

Frequently Asked Questions

What is the IUPAC name of (3Z)-7-(methylamino)-5-methylidenehepta-1,3-dien-2-ol?
The IUPAC name of (3Z)-7-(methylamino)-5-methylidenehepta-1,3-dien-2-ol (CID 143258823) is (3Z)-7-(methylamino)-5-methylidenehepta-1,3-dien-2-ol.
What is the SMILES notation for (3Z)-7-(methylamino)-5-methylidenehepta-1,3-dien-2-ol?
The canonical SMILES for (3Z)-7-(methylamino)-5-methylidenehepta-1,3-dien-2-ol is C=C(O)/C=C\C(=C)CCNC.
What is the InChIKey of (3Z)-7-(methylamino)-5-methylidenehepta-1,3-dien-2-ol?
The InChIKey is JKZCKJPJMHTEOJ-PLNGDYQASA-N. The full InChI is InChI=1S/C9H15NO/c1-8(6-7-10-3)4-5-9(2)11/h4-5,10-11H,1-2,6-7H2,3H3/b5-4-.
What are the key properties of (3Z)-7-(methylamino)-5-methylidenehepta-1,3-dien-2-ol?
(3Z)-7-(methylamino)-5-methylidenehepta-1,3-dien-2-ol has a molecular weight of 153.22 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-7-(methylamino)-5-methylidenehepta-1,3-dien-2-ol is sourced from PubChem (CID 143258823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).