carbamic acid;naphthalen-1-ylmethanol

C12H13NO3 — CID 71402043

IUPACcarbamic acid;naphthalen-1-ylmethanol
SMILESNC(=O)O.OCc1cccc2ccccc12
InChIInChI=1S/C11H10O.CH3NO2/c12-8-10-6-3-5-9-4-1-2-7-11(9)10;2-1(3)4/h1-7,12H,8H2;2H2,(H,3,4)
InChIKeyCEAUAYNKMYBFBZ-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.96
Rot. Bonds1

About carbamic acid;naphthalen-1-ylmethanol

carbamic acid;naphthalen-1-ylmethanol (PubChem CID 71402043) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is carbamic acid;naphthalen-1-ylmethanol.

Molecular Properties

Compound Namecarbamic acid;naphthalen-1-ylmethanol
PubChem CID71402043
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Namecarbamic acid;naphthalen-1-ylmethanol
SMILESNC(=O)O.OCc1cccc2ccccc12
InChIInChI=1S/C11H10O.CH3NO2/c12-8-10-6-3-5-9-4-1-2-7-11(9)10;2-1(3)4/h1-7,12H,8H2;2H2,(H,3,4)
InChIKeyCEAUAYNKMYBFBZ-UHFFFAOYSA-N
XLogP1.96
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

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2-naphthalen-1-ylacetamide;prop-2-enoic acid
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carbamic acid;naphthalene
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2,2-dimethyl-3-naphthalen-1-ylpropanamide
CID 90911277
carbamic acid;perylene
CID 22363514
1-naphthalen-1-yl-3-phenylpropan-2-one
CID 5314621
2-(naphthalen-1-ylmethyl)prop-2-enoic acid
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CID 10466391

Frequently Asked Questions

What is the IUPAC name of carbamic acid;naphthalen-1-ylmethanol?
The IUPAC name of carbamic acid;naphthalen-1-ylmethanol (CID 71402043) is carbamic acid;naphthalen-1-ylmethanol.
What is the SMILES notation for carbamic acid;naphthalen-1-ylmethanol?
The canonical SMILES for carbamic acid;naphthalen-1-ylmethanol is NC(=O)O.OCc1cccc2ccccc12.
What is the InChIKey of carbamic acid;naphthalen-1-ylmethanol?
The InChIKey is CEAUAYNKMYBFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O.CH3NO2/c12-8-10-6-3-5-9-4-1-2-7-11(9)10;2-1(3)4/h1-7,12H,8H2;2H2,(H,3,4).
What are the key properties of carbamic acid;naphthalen-1-ylmethanol?
carbamic acid;naphthalen-1-ylmethanol has a molecular weight of 219.24 g/mol, XLogP of 1.96, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbamic acid;naphthalen-1-ylmethanol is sourced from PubChem (CID 71402043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).