(Z,2S)-5-amino-3-methylidenepent-4-en-2-ol

C6H11NO — CID 129296469

IUPAC(Z,2S)-5-amino-3-methylidenepent-4-en-2-ol
SMILESC=C(/C=C\N)[C@H](C)O
InChIInChI=1S/C6H11NO/c1-5(3-4-7)6(2)8/h3-4,6,8H,1,7H2,2H3/b4-3-/t6-/m0/s1
InChIKeyPQFBERAUCORIOI-SYDCGGLASA-N
MW113.16 g/mol
LogP0.40
Rot. Bonds2

About (Z,2S)-5-amino-3-methylidenepent-4-en-2-ol

(Z,2S)-5-amino-3-methylidenepent-4-en-2-ol (PubChem CID 129296469) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is (Z,2S)-5-amino-3-methylidenepent-4-en-2-ol.

Molecular Properties

Compound Name(Z,2S)-5-amino-3-methylidenepent-4-en-2-ol
PubChem CID129296469
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name(Z,2S)-5-amino-3-methylidenepent-4-en-2-ol
SMILESC=C(/C=C\N)[C@H](C)O
InChIInChI=1S/C6H11NO/c1-5(3-4-7)6(2)8/h3-4,6,8H,1,7H2,2H3/b4-3-/t6-/m0/s1
InChIKeyPQFBERAUCORIOI-SYDCGGLASA-N
XLogP0.40
TPSA46.25 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 ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 87516701
CID 87516701
CID 87516722
CID 87516722
CID 87516810
CID 87516810
CID 89187292
CID 89187292
CID 89208831
CID 89208831
CID 89374291
CID 89374291
CID 129296471
CID 129296471
CID 130450410
CID 130450410
CID 134476399
CID 134476399
CID 135190133
CID 135190133
CID 135196934
CID 135196934
CID 140345225
CID 140345225

Frequently Asked Questions

What is the IUPAC name of (Z,2S)-5-amino-3-methylidenepent-4-en-2-ol?
The IUPAC name of (Z,2S)-5-amino-3-methylidenepent-4-en-2-ol (CID 129296469) is (Z,2S)-5-amino-3-methylidenepent-4-en-2-ol.
What is the SMILES notation for (Z,2S)-5-amino-3-methylidenepent-4-en-2-ol?
The canonical SMILES for (Z,2S)-5-amino-3-methylidenepent-4-en-2-ol is C=C(/C=C\N)[C@H](C)O.
What is the InChIKey of (Z,2S)-5-amino-3-methylidenepent-4-en-2-ol?
The InChIKey is PQFBERAUCORIOI-SYDCGGLASA-N. The full InChI is InChI=1S/C6H11NO/c1-5(3-4-7)6(2)8/h3-4,6,8H,1,7H2,2H3/b4-3-/t6-/m0/s1.
What are the key properties of (Z,2S)-5-amino-3-methylidenepent-4-en-2-ol?
(Z,2S)-5-amino-3-methylidenepent-4-en-2-ol has a molecular weight of 113.16 g/mol, XLogP of 0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2S)-5-amino-3-methylidenepent-4-en-2-ol is sourced from PubChem (CID 129296469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).