3-(3,4-dihydro-2H-pyran-2-ylmethyl)-1,1-dimethylurea

C9H16N2O2 — CID 130693357

IUPAC3-(3,4-dihydro-2H-pyran-2-ylmethyl)-1,1-dimethylurea
SMILESCN(C)C(=O)NCC1CCC=CO1
InChIInChI=1S/C9H16N2O2/c1-11(2)9(12)10-7-8-5-3-4-6-13-8/h4,6,8H,3,5,7H2,1-2H3,(H,10,12)
InChIKeyNADSCTCDGUGYIF-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.95
Rot. Bonds2

About 3-(3,4-dihydro-2H-pyran-2-ylmethyl)-1,1-dimethylurea

3-(3,4-dihydro-2H-pyran-2-ylmethyl)-1,1-dimethylurea (PubChem CID 130693357) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-pyran-2-ylmethyl)-1,1-dimethylurea.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-pyran-2-ylmethyl)-1,1-dimethylurea
PubChem CID130693357
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name3-(3,4-dihydro-2H-pyran-2-ylmethyl)-1,1-dimethylurea
SMILESCN(C)C(=O)NCC1CCC=CO1
InChIInChI=1S/C9H16N2O2/c1-11(2)9(12)10-7-8-5-3-4-6-13-8/h4,6,8H,3,5,7H2,1-2H3,(H,10,12)
InChIKeyNADSCTCDGUGYIF-UHFFFAOYSA-N
XLogP0.95
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(R)-1-(3,4-Dihydro-2H-pyran-2-yl)methyl]-3-(2-dimethylamino-ethyl)urea
CID 46185757
1-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-[2-(dimethylamino)ethyl]urea
CID 68735262
1-(2,3-Dihydrofuran-2-ylmethyl)-3-(1-methylpiperidin-4-yl)urea
CID 143176486
1-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-[2-(dimethylamino)ethyl]urea;ethane
CID 143819458
3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N,N-diethylpropanamide
CID 62064241
N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethyl]acetamide
CID 62064884
2-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethylurea
CID 83109324
3-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethyl]-1,1-dimethylurea
CID 83116673
3,4-dihydro-2H-pyran-2-ylmethylurea
CID 130625744
1-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-methylurea
CID 130657465
1-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-methoxyurea
CID 130684409
1-cyclopropyl-3-(3,4-dihydro-2H-pyran-2-ylmethyl)urea
CID 131162498

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-pyran-2-ylmethyl)-1,1-dimethylurea?
The IUPAC name of 3-(3,4-dihydro-2H-pyran-2-ylmethyl)-1,1-dimethylurea (CID 130693357) is 3-(3,4-dihydro-2H-pyran-2-ylmethyl)-1,1-dimethylurea.
What is the SMILES notation for 3-(3,4-dihydro-2H-pyran-2-ylmethyl)-1,1-dimethylurea?
The canonical SMILES for 3-(3,4-dihydro-2H-pyran-2-ylmethyl)-1,1-dimethylurea is CN(C)C(=O)NCC1CCC=CO1.
What is the InChIKey of 3-(3,4-dihydro-2H-pyran-2-ylmethyl)-1,1-dimethylurea?
The InChIKey is NADSCTCDGUGYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-11(2)9(12)10-7-8-5-3-4-6-13-8/h4,6,8H,3,5,7H2,1-2H3,(H,10,12).
What are the key properties of 3-(3,4-dihydro-2H-pyran-2-ylmethyl)-1,1-dimethylurea?
3-(3,4-dihydro-2H-pyran-2-ylmethyl)-1,1-dimethylurea has a molecular weight of 184.24 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-pyran-2-ylmethyl)-1,1-dimethylurea is sourced from PubChem (CID 130693357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).