N-(4a,8a-dihydro-2H-chromen-3-ylmethyl)acetamide

C12H15NO2 — CID 141008900

IUPACN-(4a,8a-dihydro-2H-chromen-3-ylmethyl)acetamide
SMILESCC(=O)NCC1=CC2C=CC=CC2OC1
InChIInChI=1S/C12H15NO2/c1-9(14)13-7-10-6-11-4-2-3-5-12(11)15-8-10/h2-6,11-12H,7-8H2,1H3,(H,13,14)
InChIKeyRQLCHKPJTWQWCU-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.19
Rot. Bonds2

About N-(4a,8a-dihydro-2H-chromen-3-ylmethyl)acetamide

N-(4a,8a-dihydro-2H-chromen-3-ylmethyl)acetamide (PubChem CID 141008900) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is N-(4a,8a-dihydro-2H-chromen-3-ylmethyl)acetamide.

Molecular Properties

Compound NameN-(4a,8a-dihydro-2H-chromen-3-ylmethyl)acetamide
PubChem CID141008900
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC NameN-(4a,8a-dihydro-2H-chromen-3-ylmethyl)acetamide
SMILESCC(=O)NCC1=CC2C=CC=CC2OC1
InChIInChI=1S/C12H15NO2/c1-9(14)13-7-10-6-11-4-2-3-5-12(11)15-8-10/h2-6,11-12H,7-8H2,1H3,(H,13,14)
InChIKeyRQLCHKPJTWQWCU-UHFFFAOYSA-N
XLogP1.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.19
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

N-[(7-methoxy-3H-isochromen-4-yl)methyl]butanamide
CID 87797894
N-[(7-hydroxy-3H-isochromen-4-yl)methyl]acetamide
CID 87937728
N-[(7-pentoxy-3H-isochromen-4-yl)methyl]acetamide
CID 88111658
N-[(7-methoxy-3H-isochromen-4-yl)methyl]acetamide
CID 88112016
N-[(6-methoxycyclohexa-1,3-dien-1-yl)methyl]acetamide
CID 89073483
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CID 89729610
N-[2-(7-methoxy-6,7-dihydronaphthalen-1-yl)ethyl]acetamide
CID 126607224
N-[3-(1,4-dimethylcyclohexa-2,4-dien-1-yl)oxypropyl]propanamide
CID 142103653
ethane;N-[3-(4-methylcyclohexa-2,4-dien-1-yl)oxypropyl]propanamide
CID 142103663
N-[2-(4-methoxycyclohexa-1,5-dien-1-yl)ethyl]propanamide
CID 154930851
N-[3-(cyclohexa-1,5-dien-1-ylmethoxy)propyl]propanamide
CID 169228677
6-propan-2-yl-4a,8a-dihydro-4H-1,4-benzoxazin-3-one
CID 170239660

Frequently Asked Questions

What is the IUPAC name of N-(4a,8a-dihydro-2H-chromen-3-ylmethyl)acetamide?
The IUPAC name of N-(4a,8a-dihydro-2H-chromen-3-ylmethyl)acetamide (CID 141008900) is N-(4a,8a-dihydro-2H-chromen-3-ylmethyl)acetamide.
What is the SMILES notation for N-(4a,8a-dihydro-2H-chromen-3-ylmethyl)acetamide?
The canonical SMILES for N-(4a,8a-dihydro-2H-chromen-3-ylmethyl)acetamide is CC(=O)NCC1=CC2C=CC=CC2OC1.
What is the InChIKey of N-(4a,8a-dihydro-2H-chromen-3-ylmethyl)acetamide?
The InChIKey is RQLCHKPJTWQWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-9(14)13-7-10-6-11-4-2-3-5-12(11)15-8-10/h2-6,11-12H,7-8H2,1H3,(H,13,14).
What are the key properties of N-(4a,8a-dihydro-2H-chromen-3-ylmethyl)acetamide?
N-(4a,8a-dihydro-2H-chromen-3-ylmethyl)acetamide has a molecular weight of 205.26 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4a,8a-dihydro-2H-chromen-3-ylmethyl)acetamide is sourced from PubChem (CID 141008900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).