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

C8H14N2O2 — CID 130657465

IUPAC1-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-methylurea
SMILESCNC(=O)NCC1CCC=CO1
InChIInChI=1S/C8H14N2O2/c1-9-8(11)10-6-7-4-2-3-5-12-7/h3,5,7H,2,4,6H2,1H3,(H2,9,10,11)
InChIKeyKBZJZGHWZPEMNR-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.61
Rot. Bonds2

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

1-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-methylurea (PubChem CID 130657465) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-methylurea.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-methylurea
PubChem CID130657465
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name1-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-methylurea
SMILESCNC(=O)NCC1CCC=CO1
InChIInChI=1S/C8H14N2O2/c1-9-8(11)10-6-7-4-2-3-5-12-7/h3,5,7H,2,4,6H2,1H3,(H2,9,10,11)
InChIKeyKBZJZGHWZPEMNR-UHFFFAOYSA-N
XLogP0.61
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.61
H-Bond Donors ≤ 52
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
2,3-Dihydrofuran-2-ylmethylurea
CID 88997485
1-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-[2-(dimethylamino)ethyl]urea;ethane
CID 143819458
1-(2,3-Dihydrofuran-2-yl)ethylurea
CID 153684725
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-methoxyurea
CID 130684409
3-(3,4-dihydro-2H-pyran-2-ylmethyl)-1,1-dimethylurea
CID 130693357
Methyl [(3,4-dihydro-2H-pyran-2-yl)methyl]carbamate
CID 130742033
N-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]acetamide
CID 131098121

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-methylurea?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-methylurea (CID 130657465) is 1-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-methylurea.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-methylurea?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-methylurea is CNC(=O)NCC1CCC=CO1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-methylurea?
The InChIKey is KBZJZGHWZPEMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-9-8(11)10-6-7-4-2-3-5-12-7/h3,5,7H,2,4,6H2,1H3,(H2,9,10,11).
What are the key properties of 1-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-methylurea?
1-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-methylurea has a molecular weight of 170.21 g/mol, XLogP of 0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-methylurea is sourced from PubChem (CID 130657465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).