(3R)-3-amino-5-methylhept-6-en-2-one

C8H15NO — CID 142093532

IUPAC(3R)-3-amino-5-methylhept-6-en-2-one
SMILESC=CC(C)C[C@@H](N)C(C)=O
InChIInChI=1S/C8H15NO/c1-4-6(2)5-8(9)7(3)10/h4,6,8H,1,5,9H2,2-3H3/t6?,8-/m1/s1
InChIKeyRPGLJQNSDXUBBC-QFSRMBNQSA-N
MW141.21 g/mol
LogP1.11
Rot. Bonds4

About (3R)-3-amino-5-methylhept-6-en-2-one

(3R)-3-amino-5-methylhept-6-en-2-one (PubChem CID 142093532) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (3R)-3-amino-5-methylhept-6-en-2-one.

Molecular Properties

Compound Name(3R)-3-amino-5-methylhept-6-en-2-one
PubChem CID142093532
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(3R)-3-amino-5-methylhept-6-en-2-one
SMILESC=CC(C)C[C@@H](N)C(C)=O
InChIInChI=1S/C8H15NO/c1-4-6(2)5-8(9)7(3)10/h4,6,8H,1,5,9H2,2-3H3/t6?,8-/m1/s1
InChIKeyRPGLJQNSDXUBBC-QFSRMBNQSA-N
XLogP1.11
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-4-methylhex-5-enoic acid
CID 143398016
(3S,5R)-3,5-dimethylhept-6-en-2-one
CID 131859012
3-amino-5,5-dihydroxypentan-2-one
CID 20668323
(4R,6S)-4,6-dimethyloct-7-en-2-one
CID 59788969
(Z,3S,8S)-3,8-diaminodec-5-ene-2,9-dione
CID 166997414
ethenyl (2S)-2-amino-4-methylpentanoate
CID 57471579
(1-amino-3-methylpent-4-enyl)boronic acid
CID 123194636
(3S)-3-amino-4-hydroxybutan-2-one
CID 91337493
(4R,6R)-2,6-dimethyloct-7-en-4-ol
CID 92953759
(3S)-3-amino-6-methylheptan-2-one
CID 88561356
3-amino-5-(4-methylhepta-4,6-dienyl)heptane-2,6-dione
CID 123162894
ethyl (3R)-3-methylpent-4-enoate
CID 173481995

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-5-methylhept-6-en-2-one?
The IUPAC name of (3R)-3-amino-5-methylhept-6-en-2-one (CID 142093532) is (3R)-3-amino-5-methylhept-6-en-2-one.
What is the SMILES notation for (3R)-3-amino-5-methylhept-6-en-2-one?
The canonical SMILES for (3R)-3-amino-5-methylhept-6-en-2-one is C=CC(C)C[C@@H](N)C(C)=O.
What is the InChIKey of (3R)-3-amino-5-methylhept-6-en-2-one?
The InChIKey is RPGLJQNSDXUBBC-QFSRMBNQSA-N. The full InChI is InChI=1S/C8H15NO/c1-4-6(2)5-8(9)7(3)10/h4,6,8H,1,5,9H2,2-3H3/t6?,8-/m1/s1.
What are the key properties of (3R)-3-amino-5-methylhept-6-en-2-one?
(3R)-3-amino-5-methylhept-6-en-2-one has a molecular weight of 141.21 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-5-methylhept-6-en-2-one is sourced from PubChem (CID 142093532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).