1-methylazepan-2-one;1,1,3,3-tetramethylurea

C12H25N3O2 — CID 19019034

IUPAC1-methylazepan-2-one;1,1,3,3-tetramethylurea
SMILESCN(C)C(=O)N(C)C.CN1CCCCCC1=O
InChIInChI=1S/C7H13NO.C5H12N2O/c1-8-6-4-2-3-5-7(8)9;1-6(2)5(8)7(3)4/h2-6H2,1H3;1-4H3
InChIKeySEVQWRZXWMZZRR-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.25
Rot. Bonds

About 1-methylazepan-2-one;1,1,3,3-tetramethylurea

1-methylazepan-2-one;1,1,3,3-tetramethylurea (PubChem CID 19019034) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-methylazepan-2-one;1,1,3,3-tetramethylurea.

Molecular Properties

Compound Name1-methylazepan-2-one;1,1,3,3-tetramethylurea
PubChem CID19019034
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name1-methylazepan-2-one;1,1,3,3-tetramethylurea
SMILESCN(C)C(=O)N(C)C.CN1CCCCCC1=O
InChIInChI=1S/C7H13NO.C5H12N2O/c1-8-6-4-2-3-5-7(8)9;1-6(2)5(8)7(3)4/h2-6H2,1H3;1-4H3
InChIKeySEVQWRZXWMZZRR-UHFFFAOYSA-N
XLogP1.25
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methylazepan-2-one;1,1,3,3-tetramethylurea?
The IUPAC name of 1-methylazepan-2-one;1,1,3,3-tetramethylurea (CID 19019034) is 1-methylazepan-2-one;1,1,3,3-tetramethylurea.
What is the SMILES notation for 1-methylazepan-2-one;1,1,3,3-tetramethylurea?
The canonical SMILES for 1-methylazepan-2-one;1,1,3,3-tetramethylurea is CN(C)C(=O)N(C)C.CN1CCCCCC1=O.
What is the InChIKey of 1-methylazepan-2-one;1,1,3,3-tetramethylurea?
The InChIKey is SEVQWRZXWMZZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO.C5H12N2O/c1-8-6-4-2-3-5-7(8)9;1-6(2)5(8)7(3)4/h2-6H2,1H3;1-4H3.
What are the key properties of 1-methylazepan-2-one;1,1,3,3-tetramethylurea?
1-methylazepan-2-one;1,1,3,3-tetramethylurea has a molecular weight of 243.35 g/mol, XLogP of 1.25, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylazepan-2-one;1,1,3,3-tetramethylurea is sourced from PubChem (CID 19019034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).