(3Z)-3-(methylamino)penta-1,3-dien-2-ol

C6H11NO — CID 89219015

IUPAC(3Z)-3-(methylamino)penta-1,3-dien-2-ol
SMILESC=C(O)/C(=C/C)NC
InChIInChI=1S/C6H11NO/c1-4-6(7-3)5(2)8/h4,7-8H,2H2,1,3H3/b6-4-
InChIKeyLQPMUSBHUGYYBE-XQRVVYSFSA-N
MW113.16 g/mol
LogP1.18
Rot. Bonds2

About (3Z)-3-(methylamino)penta-1,3-dien-2-ol

(3Z)-3-(methylamino)penta-1,3-dien-2-ol (PubChem CID 89219015) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is (3Z)-3-(methylamino)penta-1,3-dien-2-ol.

Molecular Properties

Compound Name(3Z)-3-(methylamino)penta-1,3-dien-2-ol
PubChem CID89219015
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name(3Z)-3-(methylamino)penta-1,3-dien-2-ol
SMILESC=C(O)/C(=C/C)NC
InChIInChI=1S/C6H11NO/c1-4-6(7-3)5(2)8/h4,7-8H,2H2,1,3H3/b6-4-
InChIKeyLQPMUSBHUGYYBE-XQRVVYSFSA-N
XLogP1.18
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 51.18
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

(2E,4Z)-4-ethenyl-N-methylhexa-2,4-dien-3-amine
CID 126553029
(3Z,5Z)-6-methyl-3-(methylamino)nona-1,3,5-trien-2-ol
CID 142310856
(Z)-N-methyl-2-(methylamino)but-2-enamide
CID 88684309
(1E)-2-N-methylbuta-1,3-diene-1,2,3-triamine
CID 166763683
(2E,3E)-5-chloro-2-ethylidene-3-(methylamino)hexa-3,5-dienal;propane
CID 143662335
ethane;(2E,4Z)-4-ethyl-N-methylhepta-2,4,6-trien-3-amine
CID 156719624
ethene;(E)-2-(1-hydroxyethenyl)but-2-enal
CID 178007347
ethane;(E,3Z)-3-ethylidene-4-(methylamino)hex-4-enal
CID 143963041
(E)-N,5-dimethyl-4-methyliminohex-2-en-3-amine
CID 166983864
(2E,4E)-4,6-dibromo-N-methylhexa-2,4-dien-3-amine
CID 142852445
(3E)-N,2-dimethyl-5-methylidenehepta-1,3,6-trien-4-amine
CID 143240550
(3E,5E)-5-methanimidoyl-N-methylhepta-1,3,5-trien-4-amine
CID 144786516

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-(methylamino)penta-1,3-dien-2-ol?
The IUPAC name of (3Z)-3-(methylamino)penta-1,3-dien-2-ol (CID 89219015) is (3Z)-3-(methylamino)penta-1,3-dien-2-ol.
What is the SMILES notation for (3Z)-3-(methylamino)penta-1,3-dien-2-ol?
The canonical SMILES for (3Z)-3-(methylamino)penta-1,3-dien-2-ol is C=C(O)/C(=C/C)NC.
What is the InChIKey of (3Z)-3-(methylamino)penta-1,3-dien-2-ol?
The InChIKey is LQPMUSBHUGYYBE-XQRVVYSFSA-N. The full InChI is InChI=1S/C6H11NO/c1-4-6(7-3)5(2)8/h4,7-8H,2H2,1,3H3/b6-4-.
What are the key properties of (3Z)-3-(methylamino)penta-1,3-dien-2-ol?
(3Z)-3-(methylamino)penta-1,3-dien-2-ol has a molecular weight of 113.16 g/mol, XLogP of 1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(methylamino)penta-1,3-dien-2-ol is sourced from PubChem (CID 89219015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).