(Z,6R)-2-amino-6-hydroxyhept-2-en-4-one

C7H13NO2 — CID 55285585

IUPAC(Z,6R)-2-amino-6-hydroxyhept-2-en-4-one
SMILESC/C(N)=C/C(=O)C[C@@H](C)O
InChIInChI=1S/C7H13NO2/c1-5(8)3-7(10)4-6(2)9/h3,6,9H,4,8H2,1-2H3/b5-3-/t6-/m1/s1
InChIKeyNOSGCRGLCDWLSU-CWVDAHFDSA-N
MW143.19 g/mol
LogP0.19
Rot. Bonds3

About (Z,6R)-2-amino-6-hydroxyhept-2-en-4-one

(Z,6R)-2-amino-6-hydroxyhept-2-en-4-one (PubChem CID 55285585) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is (Z,6R)-2-amino-6-hydroxyhept-2-en-4-one.

Molecular Properties

Compound Name(Z,6R)-2-amino-6-hydroxyhept-2-en-4-one
PubChem CID55285585
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name(Z,6R)-2-amino-6-hydroxyhept-2-en-4-one
SMILESC/C(N)=C/C(=O)C[C@@H](C)O
InChIInChI=1S/C7H13NO2/c1-5(8)3-7(10)4-6(2)9/h3,6,9H,4,8H2,1-2H3/b5-3-/t6-/m1/s1
InChIKeyNOSGCRGLCDWLSU-CWVDAHFDSA-N
XLogP0.19
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-aminopent-4-en-2-ol
CID 88961101
2,6-diaminohepta-2,5-dien-4-one
CID 74377910
4-amino-1-cyclopropylpent-3-en-2-one
CID 130732609
5-hydroxy-3-(2-hydroxypropyl)-2-methylhex-2-enoic acid
CID 19697270
CID 171374936
CID 171374936
(Z)-3-amino-N-propan-2-ylbut-2-enamide
CID 55280984
prop-2-enyl 3-hydroxybutanoate
CID 14360290
carbon monoxide;4-hydroxypentan-2-one;rhodium
CID 134992044
5-hydroxy-2-methylhexan-3-one
CID 536853
CID 90459779
CID 90459779
3-ethoxy-5-hydroxy-2-methylhex-2-enoic acid
CID 87964259
3-amino-4-hydroxypentan-2-one;4-hydroxypentan-2-one
CID 159964443

Frequently Asked Questions

What is the IUPAC name of (Z,6R)-2-amino-6-hydroxyhept-2-en-4-one?
The IUPAC name of (Z,6R)-2-amino-6-hydroxyhept-2-en-4-one (CID 55285585) is (Z,6R)-2-amino-6-hydroxyhept-2-en-4-one.
What is the SMILES notation for (Z,6R)-2-amino-6-hydroxyhept-2-en-4-one?
The canonical SMILES for (Z,6R)-2-amino-6-hydroxyhept-2-en-4-one is C/C(N)=C/C(=O)C[C@@H](C)O.
What is the InChIKey of (Z,6R)-2-amino-6-hydroxyhept-2-en-4-one?
The InChIKey is NOSGCRGLCDWLSU-CWVDAHFDSA-N. The full InChI is InChI=1S/C7H13NO2/c1-5(8)3-7(10)4-6(2)9/h3,6,9H,4,8H2,1-2H3/b5-3-/t6-/m1/s1.
What are the key properties of (Z,6R)-2-amino-6-hydroxyhept-2-en-4-one?
(Z,6R)-2-amino-6-hydroxyhept-2-en-4-one has a molecular weight of 143.19 g/mol, XLogP of 0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,6R)-2-amino-6-hydroxyhept-2-en-4-one is sourced from PubChem (CID 55285585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).