N-[(3-methylcyclohexa-1,5-dien-1-yl)methyl]acetamide

C10H15NO — CID 143087943

IUPACN-[(3-methylcyclohexa-1,5-dien-1-yl)methyl]acetamide
SMILESCC(=O)NCC1=CC(C)CC=C1
InChIInChI=1S/C10H15NO/c1-8-4-3-5-10(6-8)7-11-9(2)12/h3,5-6,8H,4,7H2,1-2H3,(H,11,12)
InChIKeyXHZBCQTTZPLEFC-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.64
Rot. Bonds2

About N-[(3-methylcyclohexa-1,5-dien-1-yl)methyl]acetamide

N-[(3-methylcyclohexa-1,5-dien-1-yl)methyl]acetamide (PubChem CID 143087943) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is N-[(3-methylcyclohexa-1,5-dien-1-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(3-methylcyclohexa-1,5-dien-1-yl)methyl]acetamide
PubChem CID143087943
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC NameN-[(3-methylcyclohexa-1,5-dien-1-yl)methyl]acetamide
SMILESCC(=O)NCC1=CC(C)CC=C1
InChIInChI=1S/C10H15NO/c1-8-4-3-5-10(6-8)7-11-9(2)12/h3,5-6,8H,4,7H2,1-2H3,(H,11,12)
InChIKeyXHZBCQTTZPLEFC-UHFFFAOYSA-N
XLogP1.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(3-methylcyclohexa-1,5-dien-1-yl)ethyl]-3-oxobutanamide
CID 126537901
2-[(3R)-3-methylcyclohexa-1,5-dien-1-yl]acetamide
CID 118218247
N-[(3-methylcyclohexa-1,5-dien-1-yl)methyl]methanesulfonamide
CID 137427518
2-(3-methylcyclohexa-1,5-dien-1-yl)-N-(pyrazin-2-ylmethyl)acetamide
CID 143797744
2-but-3-enyl-6-methylcyclohexa-1,3-diene
CID 143907191
2-chloro-6-methylcyclohexa-1,3-diene
CID 12828163
N-(thiiren-2-ylmethyl)acetamide
CID 130350306
N-[(6-oxo-2,3-dihydropyran-2-yl)methyl]acetamide
CID 77420532
(4-methylcyclohexa-1,5-dien-1-yl)methylurea
CID 143565143
tert-butyl N-(3-methylcyclohexa-1,5-dien-1-yl)carbamate
CID 91074692
N-(cyclopenta-1,4-dien-1-ylmethyl)-2-oxopropanamide
CID 23532322
N-[[3,5-bis(acetamidomethyl)phenyl]methyl]acetamide
CID 70538979

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylcyclohexa-1,5-dien-1-yl)methyl]acetamide?
The IUPAC name of N-[(3-methylcyclohexa-1,5-dien-1-yl)methyl]acetamide (CID 143087943) is N-[(3-methylcyclohexa-1,5-dien-1-yl)methyl]acetamide.
What is the SMILES notation for N-[(3-methylcyclohexa-1,5-dien-1-yl)methyl]acetamide?
The canonical SMILES for N-[(3-methylcyclohexa-1,5-dien-1-yl)methyl]acetamide is CC(=O)NCC1=CC(C)CC=C1.
What is the InChIKey of N-[(3-methylcyclohexa-1,5-dien-1-yl)methyl]acetamide?
The InChIKey is XHZBCQTTZPLEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-8-4-3-5-10(6-8)7-11-9(2)12/h3,5-6,8H,4,7H2,1-2H3,(H,11,12).
What are the key properties of N-[(3-methylcyclohexa-1,5-dien-1-yl)methyl]acetamide?
N-[(3-methylcyclohexa-1,5-dien-1-yl)methyl]acetamide has a molecular weight of 165.24 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylcyclohexa-1,5-dien-1-yl)methyl]acetamide is sourced from PubChem (CID 143087943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).