N-[(3R)-2-methylhex-5-en-3-yl]acetamide

C9H17NO — CID 87703941

IUPACN-[(3R)-2-methylhex-5-en-3-yl]acetamide
SMILESC=CC[C@@H](NC(C)=O)C(C)C
InChIInChI=1S/C9H17NO/c1-5-6-9(7(2)3)10-8(4)11/h5,7,9H,1,6H2,2-4H3,(H,10,11)/t9-/m1/s1
InChIKeyAXRVWZHHNPJNHX-SECBINFHSA-N
MW155.24 g/mol
LogP1.72
Rot. Bonds4

About N-[(3R)-2-methylhex-5-en-3-yl]acetamide

N-[(3R)-2-methylhex-5-en-3-yl]acetamide (PubChem CID 87703941) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is N-[(3R)-2-methylhex-5-en-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3R)-2-methylhex-5-en-3-yl]acetamide
PubChem CID87703941
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC NameN-[(3R)-2-methylhex-5-en-3-yl]acetamide
SMILESC=CC[C@@H](NC(C)=O)C(C)C
InChIInChI=1S/C9H17NO/c1-5-6-9(7(2)3)10-8(4)11/h5,7,9H,1,6H2,2-4H3,(H,10,11)/t9-/m1/s1
InChIKeyAXRVWZHHNPJNHX-SECBINFHSA-N
XLogP1.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-2-methylhex-5-en-3-yl]acetamide?
The IUPAC name of N-[(3R)-2-methylhex-5-en-3-yl]acetamide (CID 87703941) is N-[(3R)-2-methylhex-5-en-3-yl]acetamide.
What is the SMILES notation for N-[(3R)-2-methylhex-5-en-3-yl]acetamide?
The canonical SMILES for N-[(3R)-2-methylhex-5-en-3-yl]acetamide is C=CC[C@@H](NC(C)=O)C(C)C.
What is the InChIKey of N-[(3R)-2-methylhex-5-en-3-yl]acetamide?
The InChIKey is AXRVWZHHNPJNHX-SECBINFHSA-N. The full InChI is InChI=1S/C9H17NO/c1-5-6-9(7(2)3)10-8(4)11/h5,7,9H,1,6H2,2-4H3,(H,10,11)/t9-/m1/s1.
What are the key properties of N-[(3R)-2-methylhex-5-en-3-yl]acetamide?
N-[(3R)-2-methylhex-5-en-3-yl]acetamide has a molecular weight of 155.24 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-2-methylhex-5-en-3-yl]acetamide is sourced from PubChem (CID 87703941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).